MC LC

I. NGUN GC CA BC X HNG NGOI----------------------------------------------3 II. I CNG V PH HNG NGOI-----------------------------------------------------3 2.1 iu kin hp th bc x hng ngoi--------------------------------------------------4 2.2 S quay ca phn t v ph quay---------------------------------------------------------------5 2.3 Ph dao ng quay ca phn t hai nguyn t------------------------------------------------7 2.4 Ph dao ng quay ca phn t nhiu nguyn t-------------------------------------------11 2.5 Cc yu t nh hng n tn s c trng nhm------------------------------------------15 2.5.1 nh hng do cu trc ca phn t---------------------------------------------------------15 2.5.2 nh hng do tng tc gia cc phn t-------------------------------------------------17 2.6 Cng v hnh dng ca vn ph hng ngoi--------------------------------------------17 2.7 Cc vn ph hng ngoi khng c bn-------------------------------------------------------18 III. HP THU HNG NGOI CA MT S HP CHT HU C V V C- 19 3.1 Tn s hp thu ca hydrocarbon---------------------------------------------------------------19 3.2 Tn s hp thu ca Alcohol v phenol--------------------------------------------------------24 3.3 Tn s hp thu ca ether, epoxide v peroxide----------------------------------------------26 3.4 Tn s hp thu ca hp cht carbonyl---------------------------------------------------------27 3.5 Tn s hp thu ca hp cht Nitrogen--------------------------------------------------------31 3.6 Tn s hp thu ca hp cht cha phosphor-------------------------------------------------33 3.7 Tn s hp thu ca hp cht cha lu hunh------------------------------------------------34 3.8 Tn s hp thu ca hp cht cha ni i lin nhau----------------------------------------34 3.9 Tn s hp thu ca hp cht cha halogenur------------------------------------------------35 IV. K THUT THC NGHIM V NG DNG PHNG PHP QUANG PH HNG NGOI--------------------------------------------------------------------------------------36 4.1 My quang ph IR-------------------------------------------------------------------------------36 4.2 Cch chun b mu-------------------------------------------------------------------------------37 4.3 ng dng------------------------------------------------------------------------------------------39 4.3.1 ng nht cc cht----------------------------------------------------------------------------39 4.3.2 Xc nh cu trc phn t--------------------------------------------------------------------39 4.3.3 Nghin cu ng hc phn ng-------------------------------------------------------------39 4.3.4 Nhn bit cc cht-----------------------------------------------------------------------------39 4.3.5 Xc nh tinh khit-------------------------------------------------------------------------40 4.3.6 Suy on v tnh i xng ca phn t-----------------------------------------------------40 4.3.7 Phn tch nh lng--------------------------------------------------------------------------40 V. NG DNG PH HNG NGOI TRONG THC PHM------------------------42 NG DNG QUANG PH HNG NGOI BNG PHNG PHP FT IR XC NH AXT BO OMEGA-3 TRONG M C BASA-----------------------------42 5.1 Gii thiu axt bo omega-3----------------------------------------------------------------------------43 5.2 Phn tch nh lng tng cc axt bo khng no bng k thut FT IR -----------------43
5.3 Tho lun so snh--------------------------------------------------------------------------------------43 5.4 Kt lun----------------------------------------------------------------------------------------------------44

VI. NHNG LOI MY QUANG PH TRN TH TRNG HIN NAY---------45 6.1 My quang ph hng ngoi bin i Fourier----------------------------------------45

Ph Hng Ngoi v ng Dng Trong Thc Phm

6.2 My quang ph hng ngoi gn (FT-NIR)------------------------------------------46

TI LIU THAM KHO-------------------------------------------------------------------------47

I. NGUN GC CA BC X HNG NGOI:

Nm 1800, William Hershel pht hin ra s tn ti ca bc x nhit ngoi vng ph ca nh sng nhn thy v ng t tn cho n l bc x hng ngoi (Infrared - IR). y l di bc x khng nhn thy c c bc sng t 0,75 n 1000 nm v ng cng chng minh c rng bc x ny tun theo nhng qui lut ca nh sng nhn thy. K t mc lch s n nay, trong lnh vc ny nhn loi t c nhng bc pht trin ng k. V ngun pht x: Vo na u th k 19 tm ra nhng nh lut u tin v bc x nhit, u th k 20 hon thnh cc qui lut ca bc x khng kt hp. Trong nhng nm 1920-1930 to ra cc ngun IR nhn to, pht hin ra hiu ng in pht quang lm c s to ra cc ngun pht x IR (cc diodes pht quang). V detectors (dng pht hin IR): Nm 1830 cc detectors u tin theo nguyn l cp nhit in (thermopile) ra i. Nm 1880 ra i quang tr cho php tng ng k nhy pht hin IR. T nm 1870 n 1920, cc detectors lng t u tin theo nguyn l tng tc bc x vi vt liu ra i (vi cc detectors ny bc x c chuyn i trc tip sang tn hiu in ch khng phi thng qua hiu ng nhit do bc x sinh ra). T nm 1930-1944 pht trin cc detectors sulfure ch (PbS) phc v ch yu cho cc nhu cu qun s. T nm 1930-1950 khai thc vng IR t 3 n 5 mm bng cc detectors Antimonium dIndium (InSb) v t 1960 bt u khai thc vng IR t 8 n 14 mm bng cc detectors Tellure de Cadmium Mercure (HgTeCd). Trn th gii IR c p dng trong nhiu lnh vc: Nh ng dng trong ch to cc thit b quang in t trong o lng - kim tra trong lnh vc thc phm, cc thit b chn on v iu tr trong y t, trong cc h thng truyn thng, cc h ch th mc tiu trong thin vn, trong iu khin cc thit b v tr v trong nhng nm gn y, chng cn c s dng thm d ti nguyn thin nhin ca tri t v cc hnh tinh khc, bo v mi trng. c bit, n c nhng ng dng rt quan trng trong lnh vc qun s. Cc ng dng qun s ca IR i hi cc detectors phi c nhy cao, p ng nhanh, phi m rng di ph lm vic ca detectors v di truyn qua ca vt liu quang hc. Cui chin tranh th gii ln th hai nh ng dng IR ngi ta ch to c bom quang - in t iu khin, cc h thng iu khin ha lc trn c s bin i quang in, cc thit b nhn m cho v kh b binh, cc b in m IR v sau th chin ln th hai to ra nhiu h thng iu khin tn la khng i khng, khng i t, t i khng... nc ta hin nay, lnh vc ny c mt s c quan khoa hc trong c Vin nghin cu ng dng cng ngh, tip cn, nghin cu t cui nhng nm 60 ca th k 20. V c bit, hin nay ph hng ngoi ang c ng dng rt rng ri trong lnh vc thc phm
II.

I CNG V PH HNG NGOI:

Phng php phn tch theo ph hng ngoi l mt trong nhng k thut phn tch rt hiu qu. Mt trong nhng u im quan trng nht ca phng php ph hng ngoi vt hn nhng phng php phn tch cu trc khc (nhiu x tia X, cng hng t in t vv) l phng php ny cung cp thng tin v cu trc phn t nhanh, khng i hi cc phng php tnh ton phc tp.
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Ph Hng Ngoi v ng Dng Trong Thc Phm K thut ny da trn hiu ng n gin l: cc hp cht ho hc c kh nng hp th chn lc bc x hng ngoi. Sau khi hp th cc bc x hng ngoi, cc phn t ca cc hp cht ho hc dao ng vi nhiu vn tc dao ng v xut hin di ph hp th gi l ph hp th bc x hng ngoi. Cc m ph khc nhau c mt trong ph hng ngoi tng ng vi cc nhm chc c trng v cc lin kt c trong phn t hp cht ho hc. Bi vy ph hng ngoi ca mt hp cht ho hc coi nh "du vn tay", c th cn c vo nhn dng chng. Ph hp thu hng ngoi l ph dao ng quay v khi hp thu bc x hng ngoi th c chuyn ng dao ng v chuyn ng quay u b kch thch. Bc x hng ngoi c di sng t 0,8 n 1000m v chia thnh ba vng: 1- Cn hng ngoi ( near infrared) = 0,8 2,5m = 50 - 100m 2- Trung hng ngoi ( medium infrared) = 2,5 50m 3- Vin hng ngoi ( far infrared) Trong thc t, ph hng ngoi thng c ghi vi trc tung biu din T%, trc honh biu din s sng vi tr s gim dn ( 4000 400 cm-1).

2.1 iu kin hp th bc x hng ngoi:

Khng phi bt k phn t no cng c kh nng hp th bc x hng ngoi. Mt khc bn thn s hp th cng c tnh cht chn lc. mt phn t c th hp th bc x hng ngoi, phn t phi p ng cc yu cu sau: * di sng chnh xc ca bc x:

Mt phn t hp th bc x hng ngoi ch khi no tn s dao ng t nhin ca mt phn phn t (tc l cc nguyn t hay cc nhm nguyn t to thnh phn t ) dao ng cng tn s ca bc x ti. Thc nghim cho thy rng khi cho cc bc x hng ngoi chiu qua mu HCl v phn tch bc x truyn qua bng mt quang ph k hng ngoi, ngi ta nhn thy rng phn bc x c tn s 8,7.1013s-1 b hp th, trong khi cc tn s khc c truyn qua. Vy tn s 8,7.1013s-1 l tn s c trng cho phn t HCl. Sau khi hp th bc sng chnh xc ca bc x hng ngoi (nng lng bc x hng ngoi b tiu tn) phn t dao ng c bin tng ln. iu kin ny ch p dng cht ch cho phn t thc hin chuyn ng dao ng iu ho. * Lng cc in: Mt phn t ch hp th bc x hng ngoi khi no s hp th gy nn s bin thin momen lng cc ca chng. Mt phn t c gi l c lng cc in khi cc nguyn t thnh phn ca n c in tch (+) v in tch (-) r rt. Khi phn t lng cc c gi trong mt in trng (nh khi phn t c gi trong
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Ph Hng Ngoi v ng Dng Trong Thc Phm mt dng IR), in trng s tc dng cc lc ln cc in tch trong phn t. Cc in tch ngc nhau s chu cc lc theo chiu ngc nhau, iu dn n s tch bit hai cc tng hoc gim.V in trng ca bc x hng ngoi lm thay i phn cc ca chng mt cch tun hon, khong cch gia cc nguyn t tch in ca phn t cng thay i mt cch tun hon. Khi cc nguyn t tch in ny dao ng, chng hp th bc x hng ngoi. Nu vn tc dao ng ca cc nguyn t tch in trong phn t ln, s hp th bc x mnh v s c m ph hp th mnh, ngc li nu vn tc dao ng ca cc nguyn t tch in trong phn t nh, m ph hp th hng ngoi yu.Theo iu kin ny th cc phn t c 2 nguyn t ging nhau s khng xut hin ph dao ng. V d O 2, N2 v.v khng xut hin ph hp th hng ngoi. cng l mt iu may mn, nu khng ngi ta phi ui ht khng kh ra khi my quang ph k hng ngoi. Tuy nhin trong khng kh c CO2 v hi nc (H2O) c kh nng hp th tia hng ngoi nhng iu ny c th b tr c bng thit b thch hp. 2.2 S quay ca phn t v ph quay: Xt phn t AB c to thnh t hai nguyn t A v B c khi lng m 1 v m2, xem khi lng m1 v m2 t ti tm ca hai ht nhn vi khong cch ca hai nhn l r 0. Hai nguyn t c xem l ni cng vo nhau v c gi l mt quay t cng. Di dng quay t cng, phn t c kh nng quay xung quang nhng trc i qua trng tm ca h, cch cc tm ht nhn cc khong r1 v r2 .

Hnh 1: M hnh quay t cng phn t hai nguyn t Momen qun tnh I ca quay t c xc nh:
I = m1r12 + m2 r22 = m1m2 2 ro = ro2 (1) m1 + m2

c gi l khi lng rt gn ca phn t:

=
m1m2 1 1 1 hoc = m + m m1 + m2 1 2

(2)

S quay ca quay t cng c xem tng ng vi s quay ca khi lng rt gn t cch trc quay mt khong r0. Theo c hc lng t, nng lng chuyn ng quay ca phn t hai nguyn t c xc nh bng biu thc:
Eq = h2 8 2 I J ( J +1)
4

(3)

Ph Hng Ngoi v ng Dng Trong Thc Phm J l s lng t quay, c gi tr bng khng hoc nguyn dng ( J= 0,1,2,3). i lng (h/82I) c gi l hng s quay v c k hiu l B. Biu thc (3) tr thnh: Eq = hBJ ( J +1) (4) H thc (4) cho thy nng lng quay t l nghch vi momen qun tnh I v cc mc nng lng quay ng vi J cng ln th cng cch xa nhau: J J(J+1)
Eq = hBJ ( J +1)

0 1 0

1 2 2hB

2 6 6hB

3 12 12hB

4 20 20hB

5 30 30hB

Mt s mc nng lng quay thp ca phn t hai nguyn t v cc chuyn dch cho php c trnh by trong hnh 2a sau:

Hnh 2: a. Mt s mc quay thp ca phn t hai nguyn t v cc chuyn dch c php gia chng b. S ph quay vi chuyn mc 0 1 Ph quay ca phn t c pht sinh do s chuyn dch gia cc mc nng lng quay. i vi quang ph quay thun tu ca phn t hai nguyn t, s chuyn dch tun theo qui tc chn lc:
J = 1 (+1: hp thu, -1: pht x)

Theo m hnh cng, ph quay ca phn t hai nguyn t l mt dy vch u nhau vi tn s: 2B (01); 4B( 12) ; 6B( 23) Ngi ta thu c ph quay ca phn t khi dng bc x hng ngoi xa hoc vi sng tc ng ln mu kho st. Cc ph quay c th gip nhn dng cc cht v cho php xc nh khong cch gia cc ht nhn nguyn t v gc gia cc lin kt i vi cc phn t n gin, momen lng cc in ca nhiu phn t Ph vi sng cho chnh xc cao hn nhiu so vi ph hng ngoi xa, nhng vic nghin cu trong vng ph vi sng gp phi hai hn ch: Th nht, mu phi c chuyn thnh trng thi kh vi p sut khng di 10 -3 mmHg
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Ph Hng Ngoi v ng Dng Trong Thc Phm Th hai, hp thu bc x vi sng, phn t phi c momen lng cc trng thi c bn, bi v s quay t n khng to ra c momen lng cc. nghin cu nhng phn t khng c momen lng cc nh O2, N2 ngi ta dng ph quay khuych tn t hp. Cc ph quay thc nghim cho thy cc khong cch (2B, 4B) gia cc vch khng hon ton bng nhau, do phn t khi quay th khong cch gia hai nguyn t cng dao ng cch xa nhau ch khng c nh nh gi thit tnh ton. 2.3 Ph dao ng quay ca phn t hai nguyn t: S xut hin ca quang ph dao ng: Dao ng ca phn t gm hai nguyn t l dao ng gin v nn dc theo trc lin kt ca hai nguyn t, c gi l dao ng gin (stretching) hay dao ng ho tr. Kt qu ca dao ng ny l lm thay i di lin kt ca cc nguyn t trong phn t. Trc ht chng ta cng xt trng hp phn t AB c to thnh t hai nguyn t A v B. A v B c xem nh hai qu cu khi lng m A, mB ni vi nhau bi mt l xo. Khong cch gia tm A v tm B v tr cn bng l r 0. Nu gi cht mt qu cu cn qu kia p li ri b tay ra th qu cu th hai s dao ng quanh v tr cn bng ban u vi mt lch r. Trong h s xut hin mt lc lun lun c khuynh hng ko chng v v tr cn bng gi l lc hi phc, k hiu l F.

Bi ton dao ng nh trn c th a v trng hp bi ton tnh dao ng ca mt im ng v mt im tnh (c gi l mt h dao ng t) v c th xy ra vi bin dao ng khng i (dao ng iu ho) hoc bin dao ng thay i (dao ng khng iu ho) Dao ng iu ho: Trong trng hp ny, lc hi phc F t l vi bin r: F = - kr (5) k - h s t l, c gi l hng s lc hay hng s lc ho tr ; du tr cho bit lc F hng ngc vi chiu chuyn ng. Thc hin qu trnh tnh ton theo c hc, ngi ta chng minh c rng dao ng iu ho trn c tn s dao ng vd c xc nh nh sau:
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Ph Hng Ngoi v ng Dng Trong Thc Phm

vd = 1 2 k

(6)

Vi l khi lng thu gn ca hai qu cu ni trn Biu thc trn cho thy dao ng s c tn s cng cao nu hng s lc lin kt k cng ln v khi lng thu gn cng nh. Khi ng nht dao ng t nhin ca phn t gm hai nguyn t theo m hnh hai qu cu ni trn, biu thc (6) tr thnh:
vm = 1 2 k

Trong : vm - tn s do dao ng t nhin ca phn t. k - lc lin kt gia hai nguyn t. - khi lng thu gn ca phn t. Mt khc khi cc dao ng t thc hin dao ng, di tc dng ca lc hi phc F th n s c th nng Er:
F = Er = kr = k (r ro ) (7) dr

suy ra:
ER = 1 k (r ro ) 2 + EO 2

(8)

Vi: Er - th nng ca h ng vi mt s chuyn dch no khi v tr cn bng. E0 - th nng ca h ng vi v tr cn bng ( tc r = r0), cng l th nng cc tiu ca h. Biu thc (8) cn gip ta hnh dung th biu din s ph thuc th nng ca phn t hai nguyn t trong dao ng iu ho vo khong cch r gia hai nguyn t. l mt parabol c trc i xng l ng thng ng i qua im cc tiu ca th nng. mi trng thi dao ng, khong cch r gia hai nguyn t thay i xung quanh gi tr r o t mt gi tr cc i rmax n mt gi tr cc tiu rmin. hai gi tr gii hn th nng Er ca h bng nng lng ton phn do dao ng E d. Theo c hc lng t, nng lng ton phn Ed ch c th nhn mt dy cc gi tr gin on:

Ph Hng Ngoi v ng Dng Trong Thc Phm

Hnh3: a) ng cong th nng v cc mc nng lng dao ng ca phn t hai nguyn t dao ng iu ho b) Ph dao ng trong trng hp dao ng iu ho
1 Ed = Er = (n + )hv m (9) 2

n: s lng t dao ng ( n = 0,1,2,3) trng thi dao ng thp nht ( n = 0), dao ng ca phn t vn c nng lng: E0 = Er0 = 1/2h vm ( nng lng mc khng) Biu thc (9) cn cho thy hiu gia hai mc nng lng k nhau lun lun bng hvm, ngha l nhng mc nng lng dao ng c biu din bi nhng ng thng nm ngang cch u nhau. Khi dao ng l dao ng iu ho, s chuyn mc nng lng s tun theo qui tc chn lc vi n = 1:
E IR = hv IR = Ed ( n ) Ed ( n1) = hv m

v IR = vm

Nh vy trong trng hp l tng, phn t c dao ng iu ho v khng k n chuyn ng quay th ph hp thu hng ngoi ch gm mt vch duy nht (Hnh 3b) ng vi bin thin nng lng bng hiu nng lng gia hai mc cnh nhau v c tn s bng tn s dao ng ring ca phn t. Dao ng khng iu ho: Trong thc t, dao ng ca phn t khng phi l dao ng iu ho v khi hai ht nhn tin li gn nhau th lc tng tc gia chng ln hn khi chng cch xa nhau. Do ng biu din th nng theo khong cch r khng phi l mt hnh parabol m l mt ng cong khng i xng vi khong cch cc mc nng lng dao ng khng u
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Ph Hng Ngoi v ng Dng Trong Thc Phm ho ( khi s lng t n cng tng, cc mc nng lng cng st gn vo nhau. Dao ng khng iu ho cng khng tun theo qui tc chn lc n = 1 m mi s chuyn mc nng lng khc nhau ( 2, 3) u c th xy ra. Tuy nhin, khi n cng tng th xc sut chuyn s cng gim tc cng vn hp thu tng ng s cng yu. Ph dao ng ca phn t hai nguyn t khng phi ch gm mt vch duy nht m l mt tp hp nhiu dy vch, mi dy vch ng vi s chuyn dch ca phn t t mt mc dao ng xc nh n nhng mc khc. Vch hp thu:
-

Tng ng vi s chuyn mc ( 01) gi l vch c bn. Tng ng vi s chuyn mc ( 02) l vch ho tn th nht ( c s sng 2 s sng vch c bn). Tng ng vi s chuyn mc (0 3) l vch tn th hai ( c s sng 3 s sng vch c bn).

Hnh 4: ng cong th nng v cc mc nng lng dao ng ca phn t hai nguyn t dao ng khng iu ho. Quang ph dao ng quay ( ph hng ngoi): Khi phn t hp thu bc x hng ngoi th ph thu c khng ch l ph dao ng khng iu ho m cn l ph dao ng quay, do khi nng lng ca bc x ln kch thch cc trng thi dao ng th n cng lm thay i c trng thi quay. Kt qu l vch hp thu ph ng vi qu trnh dao ng khng phi l mt vch duy nht m bao gm nhiu tp hp vch nh l m vch c tn s V = V dd + Vq cn chnh vch c tn s Vdd th li khng xut hin. Cc my quang ph c phn gii km khng cho thy cc vch ring l ca m m ch cho thy mt ng cong vin quanh cc vch . 2.4 Ph dao ng quay ca phn t nhiu nguyn t:

Ph Hng Ngoi v ng Dng Trong Thc Phm Chuyn ng dao ng ca phn t nhiu nguyn t l rt phc tp. n gin, ngi ta thng phn mt chuyn ng phc tp thnh mt s hu hn cc dao ng n gin hn gi l dao ng c bn hay dao ng chun hay dao ng ring. Cc dao ng ring ca phn t c th c kch thch bi cc bc x in t mt cch chn lc, i vi cc phn t c momen lng cc th ch nhng dao ng no lm thay i momem lng cc ny mi b kch thch bc x hng ngoi ( nhng dao ng khng lm thay i momen lng cc s b kch thch bi tia Raman). Cc dao ng ring no c mc nng lng gi l dao ng suy bin. Mt cch tng qut, s dao ng c bn trong phn t gm N nguyn t trong trng hp chung l 3N-6, trong trng hp phn t thng hng l 3N-5. Trong trng hp phn t i xng nh CO2, CH4, CCl4 do mt s dao ng suy bin c tn s nh nhau nn tng s cc dao ng ring thc t s nh hn tng s cc dao ng c bn tnh theo cng thc l thuyt. Dao ng c bn: phn t c t ba nguyn t tr ln, ngoi dao ng ho tr l loi dao ng lm thay i di lin kt ca cc nguyn t trong phn t nh phn t hai nguyn t, cn c loi dao ng c th lm thay i gc gia cc lin kt c gi l dao ng bin dng ( deformation). Thay i gc lin kt d hn thay i di lin kt l v th nng ca dao ng bin dng thng nh hn so vi dao ng ho tr. Ngi ta cn phn bit dao ng ho tr i xng Vx ( khi hai lin kt cng di ra hoc cng ngn li) vi dao ng ho tr bt i xng Vbx ( khi mt lin kt di ra trong khi lin kt kia ngn li). Vi dao ng bin dng, ngi ta cn phn bit bin dng trong mt phng tmp ( s thay i gc lin kt xy ra trong cng mt phng) vi bin dng ngoi mt phng nmp ( s thay i gc lin kt xy ra khng cng mt phng).

Hnh 5: Cc kiu dao ng trong phn t nc a) dao ng ho tr i xng b) dao ng ho tr bt i xng c) dao ng trong mt phng minh ho, ta xt phn t gm ba nguyn t khng thng hng, v d H 2O s dao ng c bn trong phn t H2Ol 3 x 3 - 6 = 3 bao gm dao ng ho tr i xng V OH (x) dao ng ho tr bt i xng VOH(bx) , bin dng trong mt phng OH(tmp) (Hnh 1). Ph hng ngoi ca hi nc c hai vn gn nhau (3756 v 3652 cm-1 ) ng vi dao ng ha tr bt i xng ca hai nhm OH ; mt vn hp thu 1596 cm-1 ng vi dao ng bin dng ca gc HOH.

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Ph Hng Ngoi v ng Dng Trong Thc Phm Trng hp phn t gm ba nguyn t thng hng in hnh l CO2. . S dao ng c bn l 3 x 3 5 =4, v mt l thuyt gm dao ng ha tr i xng , bt i xng ca lin kt C O , dao ng bin dng trong v ngoi mt phng ca gc O C O . Trong thc t, ph hng ngoi ch c hai vn hp thu , mt 2349 cm -1 do dao ng ha tr bt i xng v mt vn 667 cm-1 ng vi dao ng bin dng COC. iu ny c gii thch l do CO2 thng hng nn dao ng ha tr i xng khng lm thay i mmen lng cc ca phn t nn khng th hin trn ph hng ngoi, cn hai dao ng bin dng trong v ngoi mt phng ca gc C O C l hai dao ng suy bin nn chng ch th hin cng mt tn s, tc ch ng vi mt vn hp thu. Dao ng nhm tn s c trng nhm: Vic gii thch ngun gc ca cc vn hp thu trn ph hng ngoi ca cc phn t nhiu nguyn t khng n gin nh cc v d minh ha trn v trong cc phn t phc tp, s kiu dao ng tng ln rt nhiu. Cc dao ng trong phn t cn c kh nng tng tc vi nhau lm bin i ln nhau nn tn s khng cn tng ng vi nhng tn s c bn na. Nhiu dao ng gn ging nhau c th cng th hin mt vng tn s hp di dng mt vn ph chung . bt phc tp ngi ta s dng khi nim dao ng nhm bng cch xem mt vi dao ng ca cc lin kt ring r hoc cc nhm chc l c lp i vi cc dao ng khc trong ton phn t v gi l dao ng nh v. V d nh nhm metylen > CH2 gm cc kiu dao ng i xng VCH(x), dao ng bt i xng VCH(bx) , dao ng ko, dao ng xun , dao ng qut Cc nhm NH2 , CCl2 cng c cc kiu dao ng tng t. Theo quan nim dao ng nhm, nhng nhm nguyn t dao ng ging nhau trong cc phn t c cu to khc nhau s c dao ng th hin nh v th hin nhng tn s hay sng ging nhau goi l tn s c trng nhm hay s sng c trng nhm, c sng dao ng ha tr l thuyt c xc nh t h thc sau y:
V = 1 2c k u

(10)

c vn tc ca bc x chn khng. Biu thc (10) cho thy khi khi lng thu gn khc nhau khng nhiu, s sng ha tr tng theo hng s lc ha tr :
V c c > c =c > c ; V V c

V c =o >V c =c...

Ngc li, khi hng s lc ha tr khc nhau khng nhiu th phn t c khi lng thu gn nh s hp thu s sng cao hn phn t c khi lng thu gn ln. y chnh l nguyn nhn lm cho cc vn hp thu do dao ng ha tr ca O-H, N-H, C-H xut hin khong s sng rt cao trn ph hng ngoi. Cc vng ph hng ngoi: Nh ni trn, ph hng ngoi thng c ghi vi trc tung biu din T%, trc honh biu din s sng vi tr s gim dn (4000 400 cm -1 ) . Theo thi quen, nhiu ngi vn gi s sng l tn s v thng k hiu V, n v cm-1 biu din chng. Hu ht cc nhm nguyn t trong hp cht hu c hp thu vng 4000-650 cm-1 . Vng ph t 4000-1500 cm-1 c gi l vng nhm chc v cha hu ht cc vn hp thu
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Ph Hng Ngoi v ng Dng Trong Thc Phm ca cc nhm chc nh OH, NH, C=O, C=N, C=CVng ph nhm chc tp trung lm bn vng m mi vng, tn s c trng nhm c gi tr thay i ph thuc vo cu to ca phn t: Vng 3650-2400 cm-1 cha cc vn dao ng ha tr ca X-H (X:O, N, C, S, P); vng t 2400-1900 cm-1 gm cc vn do dao ng ha tr ca cc nhm mang lin kt ba hoc hai lin kt i k nhau: vng 1900-1500cm-1 cha cc vn dao ng ha tr ca cc nhm mang lin kt i v do dao ng bin dng ca nhm NH2 . Vng ph t 1500-700 cm-1 , mc d c cha cc vn hp thu c trng cho dao ng ha tr ca cc lin kt n nh C-C, C-N, C-Ov cc vn do dao ng bin dng ca cc lin kt C-H, C-Cnhng thng c dng nhn dng ton phn t hn l xc nh cc nhm chc, v ngoi cc vn hp thu trn cn c nhiu vn hp thu xut hin do tng tc mnh gia cc dao ng. Cc vn hp thu ny c trng cho chuyn ng ca cc on phn t ch khng thuc ring nhm nguyn t no, v v vy, vng ph ny thng c gi l vng ch vn tay. Vng ph t 650-250cm-1 cung cp cc thng tin c gi tr i vi hp cht v c v phc cht, v cha cc vn ph lin quan n dao ng ha tr ca C-Br, C-I v M-X (M- kim loi; X: O, N, S, C), nhng khng phi my hng ngoi no cng o c vng ny. Cc nhm chc, nhm nguyn t v lin kt trong phn t c cc m ph hp th hng ngoi c trng khc nhau: * Trong vng hng ngoi gn (NIR): T 12500 cm-1 tri di n khong 4000 cm-1 c rt nhiu m ph c lin quan n nguyn t H. Trong s , dao ng co gin (bi) ca O - H gn 7140 cm-1 v N-H gn 6667 cm-1, m ph t hp do cc dao ng co gin v dao ng bin dng ca C-H ca nhm ankyl 1548 cm-1 v 3856 cm-1. hp th ca m ph NIR thp hn t 10 n 1000 ln so vi cc m ph vng hng ngoi gia. Vng NIR c th ghi c vi h quang hc thch anh, kt ni vi cc detect nhy vi NIR v ngun bc x mnh hn. * Vng hng ngoi gia: tm c rt nhiu tng quan b ch trong vng hng ngoi gia.Vng ny c chia thnh min "tn s nhm" 4000 1300 cm-1 v vng"du vn tay" 1300 - 650 cm-1. Trong khong 4000 2500 cm-1 s hp th c trng cho dao ng co gin ca H vi cc nguyn t khi lng < 19. Phn ch yu trong ph gia 1300 v 650 cm-1, l cc tn s co gin ca lin kt n v tn s cc dao ng un (cc tn s b khung) ca h nhiu nguyn t. l vng "nhn dng" "(vng "du vn tay"). Vng ph ny ht sc a dng , kh cho vic nhn bit ring r cc m ph mt cch chc chn, nhng kt hp cc m ph hp th, gip cho vic nhn bit cc cht. * Vng hng ngoi xa: Vng 667 - 10cm-1 bao gm cc dao ng bin dng ca C, N, O, F vi cc nguyn t khi lng > 19 v cc dao ng bin dng trong h thng mch vng hoc cha no. Vng dao ng tn s thp trong ph hng ngoi rt nhy i vi s thay i cu trc phn t, bi vy m ph vng hng ngoi xa thng cho php d on cc dng ng phn. Ngoi ra, vng ny c bit tt cho vic nghin cu cc c kim v cc hp cht v
12

Ph Hng Ngoi v ng Dng Trong Thc Phm c c cc nguyn t nng v lin kt yu. Trn y ta thy c s lin quan gia cu trc phn t v s xut hin cc m ph dao ng (ph hp th hng ngoi). Tn s dao ng ca nhm nguyn t no trong phn t t ph thuc cc phn cn li ca phn t c gi l tn s c trng cho nhm . Khi ni tn s c trng ca nhm khng thay i th khng c ngha l lamda max hp th l khng i m ch c ngha l lamda max nm trong mt min ph kh hp. V d lin kt C-H c tn s c trng trong khong 2800 2900 cm-1 Ta xt mt vi trng hp n gin di y thy r hn tn s c trng ca cc nhm nguyn t. * Trong cc hidrocacbon no, cc lin kt C-C v C-H l ch yu. Tn s dao ng ca mch C-C ri vo min 800 1200 cm-1 . Nu thay nhm -CH3 cui mch bng mt nguyn t khc (hay nhm nguyn t khc). V d: l X th lin kt C-X s cho tn s c trng nu tn s ca C-X khng ri vo min tn s ca C-C. V d: l X th lin kt C-X s cho tn s c trng nu tn s ca C-X khng ri vo min tn s ca C-C. V d: trong CH3-X m X l Cl, Br, I , SH, H, OH, NH-2, F vv.. ta thy. X Tn s lin kt (cm-1) ClBrISHH+ OHNH-2 F712 594 522 704 2914 1032 1037 1049

Lin kt C vi X l Cl, Br, I, SH cho tn s c trng, cn C-O, C - N, C - F khng cho tn s c trng v rivo min tn s C - C. Cng nh vy, thc nghim cho thy trong dy CnH2n+1 X, tn s ca lin kt C-X hu nh khng thay i khi n>3. V d: tn s lin kt C-Cl ca mt s hp cht di y: C3H7 Cl C4H9 Cl C5H11Cl C6H13Cl C7H15Cl 726 cm-1 722 cm-1 722 cm-1 724 cm-1 725 cm-1

Cho nn nu thy xut hin cc tn s tng ng, ta c th kt lun mt cch chnh xc l trong phn t c lin kt C-X. Tri li vic pht hin cc lin kt C-N, C-O, C-F theo tn s dao ng khi c lin kt C-C l khng chnh xc. * Khi nghin cu lin kt C = O ta cng thy l khi khng b nh hng ca cc nhm kc, lin kt ny c tn s khong 1710 cm-1, v d trong cc xeton di y, tn s
13

Ph Hng Ngoi v ng Dng Trong Thc Phm nhm C = 0 ch sai khc nhau rt t. H3C - CO - CH3 H3C - CO - C2H5 H3C - CO - C4H9 1708 cm-1 1712 cm-1 1709 cm-1

2.5 Cc yu t nh hng n tn s c trng nhm: 2.5.1 nh hng do cu trc ca phn t : Nh bit, tn s c trng nhm ph thuc vo s bn vng ca lin kt (thng qua gi tr ca k) v khi lng ca cc nguyn t tham gia lin kt (biu thc 11.10). Ngoi ra , n cn ty thuc vo phn cn li ca phn t thng qua cc hiu ng electron, hiu ng khng gian v lin kt ni phn t. Hng s lc ha tr: Hng s lc ha tr k ph thuc vo bn cht mi lin kt ha hc gia hai nguyn t - lin kt cng bn th hng s lc ha tr k s cng ln. Khi hng s lc ca hai nhm khc nhau 25% th s sng c trng ca chng khc nhau rt r. T l hng s lc ca C-C : C=C l 1:2:3 nn cc vn hp thu ca chng s c s sng c trng khc nhau v kh xa nhau. S thay th ng v : Khi thay mt nguyn t bng mt nguyn t ng v khc, hng s lc khng thay i. Tn s c trng nhm s thay i ph thuc vo khi lng ca ng v. V d khi thay H trong nhm C-H bng D th khi lng thu gn ca nhm s tng gn hai ln. Hiu ng electron: nh hng do hiu ng electron trn cc hp cht phi c xem xt c th i vi tng hp cht . Thng thng, s lin hp lm gim bc ca lin kt bi v tng bc ca lin kt n xen gia cc lin kt bi. Do , khi cc lin kt bi ln hp vi nhau th tn s ca chng u gim so vi khi chng v tr khng lin hp. Mt s v d minh ha c nu trong bng 1.

Bng 1: S sng hp thu hng ngoi do dao ng ha tr ca mt s hp cht c bc lin kt khc nhau Loi hp cht CC >C = C < >C =C C = C < Arene CC Bc lin kt 3 2 1.9 1.7 1 S sng (cm-1 ) 2260 2150 1680 - 1620 1650 - 1600 1600 - 1500 1100 - 700

i vi ni i C=C, nhng nhm ht electron lm gim mt electron, do lm yu lin kt i dn n vic lm gim s sng hp thu cn cc nhm y electron th
14

Ph Hng Ngoi v ng Dng Trong Thc Phm ngc li. i vi ni i C=O th s y electron li lm tng cng s phn cc vn c dn n s gim bc lin kt v lm gim s sng hp thu. Yu t khng gian: Cc ng phn cis - trans c th c nhn bit nh vn hp thu do dao ng bin dng ngoi mt phng ca cc lin kt =CH: ng phn trans RCH=CHR c mt vn mch 970-960 cm-1 cn ng phn cis RCH=CHR c mt vn trung bnh 730-675 cm-1. Tng t, khi o ph hng ngoi ca cc cht i quang trng thi rn c gip phn bit c ng phn quang hot vi bin th racemic. Sc cng ca vng cng gy nh hng n tn s c trng nhm. V d, vn hp thu do dao ng ha tr (C-H) ca cc alkane v cycloalkane vng ln xut hin s sng 2960-2850cm-1 trong khi vn hp thu ca cyclopropane li xut hin vo vng ca dao ng ha tr (=C-H) ca alkene, tc khong 3050cm-1. Vic thay i v tr tng i ca nhm nguyn t trong khng gian c th lm cc nhm phn cc gn nhau hoc xa nhau dn n s thay i tng tc lng cc lng cc cng c th c pht hin bng hng ngoi. nh hng ca lin kt hydro ni phn t: Lin kt hydro l lin kt yu c hnh thnh khi nguyn t hydro tham gia lin kt cng ha tr vi nguyn t ca mt nguyn t c m in ln li tng tc vi mt nguyn t m in khc . Lin kt hydro c th c xem l lin kt kiu ba trung tm trong H ng vai tr ca cu ni, lm cho hai lin kt hai bn u b yu i dn n s sng dao ng ha tr ca hai nhm tham gia lin kt u gim xung, vn hp thu ca nhm X-H (X: F, O, N) thng tri rng ra so vi trng hp khng to lin kt hydro. Lin kt hydro gy kh khn cho dao ng bin dng nn lm tng s sng ca dao ng bin dng.

2.5.2 nh hng do tng tc gia cc phn t: trng thi kh, cc phn t chuyn ng t do v hu nh khng tng tc vi nhau nn ph hng ngoi ca mt cht c o dng kh phn nh kh trung thc cu trc ca phn t. Tuy nhin, vic phn tch ph hng ngoi ca mt cht o trng thi kh i khi rt phc tp ca ph quay gy ra. Chnh v vy m ngi ta thng o mu hng ngoi dng rn, dng lng hoc DD l cc dng thng gp iu kin thng. cc dng cht rn c th tn ti di cc dng tinh th khc nhau th vic o ph hng ngoi th rn va cung cp thng tin v cu trc phn t, va c th phn nh s thay i tng tc gia cc phn t do thay i mng tinh th. V d khi o ph hng ngoi ca cc polymer (c kch thc v khi lng ln nn lc tng tc gia cc phn t l rt ng k) chng hn nh polyethylene terephtalate, ngi ta thy rng mt s vn ph ca cht ny dng v nh hnh c cng mnh hn rt nhiu so vi dng tinh th nn c th da vo y nh gi t l gia pha v nh hnh v pha tinh th. Cc ph hng ngoi ca poliamid, polipeptid v protid khng cho thy vn ph ng vi lin kt N15

Ph Hng Ngoi v ng Dng Trong Thc Phm H t do m ch c vn hp thu ca nhm N-H, lin kt hidro6 3300 cm -1, ngha l c s to thnh lin kt hydrogen trn ton mch phn t polime. loi tr nh hng tng tc mnh khi o cc cht th rn, hoc th lng tinh khit, ngi ta thng ha tan trong cc dung mi tr nh n-hexan, CCl4, CS4 Khi nghin cu ph hng ngoi ca cc cht o dng DD, cn phi lu n nng ca cht tan v gi tr ny c nh hng rt ln n lin kt hidro gia cc phn t cht tan. Pha long DD s lm cho cng mi hp thu X-H, t do tng ln v cng vn X-H tham gia lin kt hidro gim xung. Cng cn phi lu ti dung mi c s dng v dung mi nh hng khng nhiu n s sng giao ng ca nhm khng cc nhng li nh hng rt n cc nhm phn cc. Kt qu nghin cu cho thy khi chuyn t dung mi ny sang dung mi khc, s sng giao ng ca lin kt C-H trong alkane, alkene, arene, C=C, CCthay i khng nhiu, trong khi s sng giao ng ca C-H, O-alkyl, OH, NH, C=O li thay i rt ln. S to lin kt hidro lin kt lin phn t khng nhng lm dch chuyn s sng hp thu m cn m rng cc vn hp thu rt ng k. 2.6 Cng v hnh dng ca vn ph hng ngoi: Khi phn tch ph hng ngoi, ngoi v tr (s sng) ca vn hp thu cn phi ch n cng v hnh dng ca vn ph. S hp thu ca cc nhm nguyn t c th hin bi cc vn ph vi cc nh ph cc s sng thch hp. Vic nh lng bng phng php hng ngoi c chnh xc khng cao, do h s hp thu mol t lp li cc ln o khc nhau. Vic nh lng km chnh xc cng cn do rt kh xc nh chnh xc b dy khi mu dng rn (c trn vi cc mui v c v p thnh vin c b dy vi m). Cng vn ph c th c nh gi qua din tch vn ph gi l cng tch phn, nhng hin nay phng php ny cng rt t c s dng v thc hin kh khn m chnh xc vn khng cao. Hin nay ngi ta ch nh gi cng vn ph mt cch nh tnh: mnh, trung bnh hoc yu. Nh trn ni, i vi cc phn t c mmen lng cc th ch nhng dao ng no lm thay i mmen lng cc ny mi b kch thch bi bc x hng ngoi. iu ny cng cn c hiu l khng phi phn t hay lin kt c mmen lng cc ln th s c cng hp thu hng ngoi ln m ch khi cc phn t hoc lin kt c bin thin mmen lng cc ln. i vi cc phn t hai nguyn t hon ton i xng nh H 2, O2, N2dao ng gia hai nguyn t trong phn t hon ton khng gy ra s bin i mmen lng cc no nn cc phn t khng c mi hp thu trong vng ph hng ngoi. Trong cc hp cht hu c, cc nhm thng cho vn hp thu c cng mnh l C = O (VC=O khong 1700 cm-1, mnh hn nhiu so vi VC=O, VC=N c s sng cng khong ny), C-X (X halogen); cc nhm c cng lun lun yu l N=N, C=N v mt s nhm c vn hp thu c cng ty theo cu trc phn t. V d cc vn VOH, VC-O c cng t mnh n trung bnh, vn CC=C ca alkene c cng t trung bnh n yu. Cc alkene hon ton i xng nh ethylene th vn VC=C khng xut hin trn ph hng ngoi, thm ch mt s alkene hoc alkyl c tnh i xng cao (ni i hoc ni ba nm v tr gn chnh gia) th vn hp thu VC=C, VCC khng cn xut hin trn ph hng ngoi.
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Ph Hng Ngoi v ng Dng Trong Thc Phm Cc vn ph hng ngoi ni chung thng mnh v nhn , nhng cng c cc vn ph tri ra trong mt khong tn s kh rng . V d, vn O-H lin kt hydro thng l mt vn t ko di vi trm cm-1 i khi c ti vi nh cc i v khng th ch chn mt cc i no c trng cho s hp thu cu nhm OH. Cng c trng hp hai vn ph gn nhau nn c s xen ph ln nhau hoc vn mnh trm ln vn yu ch li mt g nh gi l vai. 2.7 Cc vn ph hng ngoi khng c bn: Trn ph hng ngoi, ngoi cc vn hp thu do dao ng ha tr hoc dao ng bin dng gy ra cn xut hin cc vn hp thu khng lin quan trc tip n mt dao ng c bn no c. l cc vn do s ha tn, do s kt hp, do tng tc ca cc dao ng hoc do cng hng Fermi, c gi chung l cc vn khng c bn. Vn ha tn: thng c cng yu, c s sng gn bng bi s ca vn c bn, do s chuyn mc nng lng n= 2, 3 ngoi chuyn mc nng lng n= 1. Trong thc t thng gp cc vn ha tn tng ng vi chuyn mc n= 2 nhiu hn cc trng hp khc. V d vn VC=O (khong 1700 cm-1;) c mt vn ha tn bc mt cng yu khong 3300 cm-1 ; vn VC-CI (khong 770 cm-1) c mt vn ha tn bc mt khong 1540 cm-1. Vn kt hp: thng l cc vn yu, c s sng bng tng hoc hiu ca s sng ca hai dao ng c bn, do nng lng ca bc x c kh nng kch thch hai dao ng c bn. Vn cng hng Fermi: do s cng hng gia mt vn c bn vi mt vn ha tn hoc mt vn kt hp, khi nng lng ca dao ng ha tn tnh c trng vi nng lng ca mt dao ng c bn khc. Khi c s cng hng s c s san s nng lng gia vn c bn v vn ha tn, hin tng ny lm xut hin thm mt vn v tr gn vi vn c bn, b ngoi ging nh s tch i vn c bn. Hin tng ny dng gii thch s tch mt vn ph thnh hai khi khng c nguyn nhn cu trc no gy ra. Ngoi cc vn khng c bn ni trn, s tng tc gia cc dao ng trong phn t cng c th dn n s thay i ng k s sng ca cc vn ph c bn. V d i vi alkene, vn VC=C thng xut hin khong 1650 cm-1 nhng cc hp cht alkene c ba nguyn t lin kt nhau bng hai ni i (>C=C=C<) th vn VC=C(x) xut hin 1050 cm-1 cn vn VC=C(bx) xut hin 1950 cm-1 do tng tc ca hai ni i k bn nhau. Khi gii ph hng ngoi, ngi ta thng lu u tin cc vn ph c bn. Tuy nhin, mt s vn khng c bn i khi rt c gi tr trong vic phn tch cu trc. V d nh ph hng ngoi ca cc arene, vng t 2000-1650 cm-1 c th xut hin t hai n su vn yu l cc vn ha tn v kt hp ng vi cc dao ng bin dng C=H (khong 800-900 cm-1) ca vng benzene. S lng v hnh dng cc vn ha tn v kt hp ni trn rt c ch trong vic xc nh mc th trong vng benzene (c mt, hai hay ba nhm th; cc nhm th v tr nh th no).

III. HP THU HNG NGOI CA MT S HP CHT HU C V V C

17

Ph Hng Ngoi v ng Dng Trong Thc Phm Xt v mt l thuyt, ngi ta c th o ph hng ngoi ca cc hp cht hu c, v c v c phc cht. Tuy nhin vic o ph hng ngoi ca cc hp cht v c v phc cht kh phc tp (v d nh phi tin hnh o vng c s sng kh thp m khng phi my no cng p ng c) nn trong thc t, phng php ny c s dng phn tch cc hp cht hu c l ph bin hn. Tn s hp thu c trng ca cc nhm chc c trnh by trong cc bng c n v l cm-1 (tht ra l s sng, nhng c quen gi l tn s) vi cng c vit tt l m (mnh), tb (trung bnh), y (yu) v b (bin i). 3.1 Tn s hp thu ca hydrocarbon: Tn s hp thu hng ngoi ca hydrocarbon no, ca alkene, arene mt v nhiu nhn thm, alkyne c tm tt trong cc bng 2, 3, 4 v 5. Bng 2: Tn s hp thu ca hydrocarbon no (alkane v cyclane) Nhm CH3 Dao ng VC - H(bx) VC - H(x) CH3 (tmp) CH3 (nmp) >(CH3)2 C(CH3)3 CH3 CH3 Tn s (cm-1) 2975 2950 (m) 2885 2870 (m) 1465 1440 (tb) 1390 1375 (tb) 1380 (tb) 1395 1385 (tb) 1365 (m) >CH2 thng VC - H(bx) VC - H(x) CH2 CH2 2940 2920 (m) 2870 2840 (m) 1480 1440 (tb) 745 720 (y): D ha tr bt i xng D ha tr i xng D bin dng li ko D bin dng con lc ca mch carbon (CH2)n _: n=2 n=3 n>3 D bin dng li ko ca cyclohexane (c tn s thng b hn alkane thng) Ghi ch D ha tr bt i xng D ha tr i xng D bin dng trong mt phng D bin dng ngoi mt phng D bin dng trong mt phng D bin dng trong mt phng

745 735 735 725 725 - 720 CH2 vng CH2 1452 cm-1

18

Ph Hng Ngoi v ng Dng Trong Thc Phm CH vng (ln hn ba) CH vng ba CH2 - halogen CC VC - H VC - H VC - C C - C 2890 2880 (y) 3050 (y) 1260 700 (y) 600 - 500 Trng vi vng Ch alkene Rt yu

CO CH3 CHO O CH3 O CH2 O N CH3 O CO CH3

VC H VC-H VC-H

3100 2900 (y) 2900 2700 (y) 2850 2810 (tb) 2790 2770 (tb)

Thng rt yu Thng gm haivn (mt 2720cm-1) Aryl ether: s sng cao Ankyl ether: s song thp

VC-H CH3

2820 2780 (tb) 1385 1365 (m) 1360 1355 (m) Cng rt mnh

Nhm C H khng tham gia lin kt hydro nn v tr cc vn hp thu ca n t chu nh hng ca trng thi mu o v bn cht ho hc ca mi trng o. Nu khng thy s xut hin ca cc vn hp thu do dao ng ho tr ca CH no th chc chn trong hp cht nghin cu khng c cc nhm CH, > CH2, CH3. Lin kt C C hp thu vng ch vn tay, thng yu v c s sng thay i do nh hng ca tng tc dao ng nn khng c gi tr thc t. Bng 3: Tn s hp thu ca Alkene Nhm >C=CH2 Dao ng V=CH2 =CH2 CH=CH2 V=CH2 =CH2 Tn s (cm-1) Ghi ch

3095 3075 (tb) i khi b che ph bi vn VC-H no 895 885 (m) 3095 3075 (tb) 995 - 980 V 915 - 905

>C=CH

V=CH =CH

3040 3010 (tb) 850 790 (m)

19

Ph Hng Ngoi v ng Dng Trong Thc Phm RCH= CHR (trans) RHC=CHR (cis) R CH=CH2 CH(nmp) CH CH 970 960 (m) 730 675 (tb) 995 985 (m) V 940 900 (m) 840 790 (tb) D bin dng ngoi mt phng ( 990cm-1 nu lin hp vi C=O )

R2C=CHR

CH

> C=C <

VC=C(klh) VC=C(lh)

1680 1620 (b) 1625 (tb)

D ho tr C=C khng lin hp Lin hp vi nhn thm (vi h thng lin hp, thng xut hin hai mi hp thu 1650 1600 cm-1)

> C=CH2 CH=CH2 RHC=CHR(cis)

VC=C C=C VC=C C=C <1665 630cm-1 <1665 630 va 455

D bin dng do mch carbon

D bin dng do mch carbon vi hai mi hp thu

RCH=CHR(trans)

VC=C C=C >1665 455 - 370 D bin dng do mch carbon vi mt mi hp thu

>C=CH v C=C<

VC=C >1665 Vn 1600 thng mnh hn v c th xen ln vi vn 1650

Dien v Trien

VC=C 1650(m) v 1600(m)

Bng 4: Tn s hp thu ca Arene mt nhn thm v nhiu nhn thm

20

Ph Hng Ngoi v ng Dng Trong Thc Phm Nhm Aryl H Dao ng VCH thm Tn s(cm-1) 3080 3010 (y) Ghi ch Thng b che ph, c th c n 5 mi (s mi gim khi s nhm th tng). D bin dng trong mt phng (rt yu thng b qua). D bin dng ngoi mt phng(rt c trng), tn s thay i theo v tr v s nhm th: Mt nhm th (2 mi) Hai nhm th ortho (1mi) Hai nhm th meta (3 mi) Hai nhm th para (1 mi) Ba nhm th 1,2,3 Ba nhm th 1,2,4 Ba nhm th 1,3,5

CH(tmp) thm

1290 1000 (y)

CH(nmp ) thm

900 675 (b)

770 730 v 710 690 770 735 960 900, 880 830 V 710 680 860 800 800 760 v 720 685 900 885 v 780 760 865 810 v 760 - 730 C=C (mt nhn thm) Nhiu nhn thm VC=C Mch carbon 1625 1430 1625 1590, 1590 1575 1575 v 1525 - 1470 900 675 (b)

2 hay 3 mi D bin dng ngoi mt phng, tn s thay i theo s H, theo v tr v s nhm th: 6 H lin tip (mt mi) 5H lin tip (mt th)(mt mi) 4H lin tip (hai th ortho)(mt mi) 3H lin tip (hai th meta hay 1, 2, 3) 2H lin tip (hai th para hay 1,2,3,4) 1H c lp(hai th meta hay 1,2,3,5,- 1,2,4,5)

CH(nmp)thm

671 770 730 (m) 770 735 (m)

820 760 (m)

860 800 (m)

900 830 (m)

21

Ph Hng Ngoi v ng Dng Trong Thc Phm

Nhm CH khng no v CH thm c th c phn bit vi CH no bi v vn hp thu do dao ng ho tr ca chng thng xut hin s sng ln hn 3000 cm -1 (trong khi vn hp thu do dao ng ho tr ca CH no xut hin s sng b hn 3000 cm-1). Tuy nhin, do cng ca cc vn ny kh yu nn chng thng b che ph bi cc vn CH no hoc cc vn NH, OH,... Nhn chung, ph hng ngoi ca cc hp cht thm th hin nm vng: vng 3080 3010 cm-1(dao ng ho tr ca lin kt CH), vng c tn s t 2000 1600 cm-1 xut hin cc vn ha tn v vn kp hp ca hp cht thm, vng 1600 1500 cm-1 c th c hai hay ba vn do dao ng ho tr ca cc lin kt C- C trong nhn gy nn (dao ng khung), c trng cho cc nhn thm loi su cnh nh nhn benzen, nhn pyridine, vng 1225 950 cm-1 hu nh khng cung cp thng tin c gi tr cho vic gii on ph, vng di 900 cm-1c cc vn dao ng bin dng ngoi mt phng ca cc lin kt CH thm c th cung cp cc thng tin v s lng v v tr ca cc nhm th, nhng phi ht sc thn trng v y khng phi l cc vn duy nht trong vng ny.

Bng 5: Tn s hp thu ca Alkyne Nhm CCH CCH CCH Dao ng V=CH CH VCC VCC Tn s (cm-1) 3340 3300 (tb) 695 575 2140 2100 (y) 2260 2190 (y) Ghi ch C th b che bi mi NH hay OH Hai mi Alkyne mt nhm th Alkyne hai nhm th, mi ch do cng hng Femi, cng cng yu khi tnh i xng cng cao (khng xut hin khi ni ba gia mch hoc gn gia mch)

Acetylene Alkyne th -CCC RCCme RCCEt

CC CC

355 335 510 - 260 960 900 520 495 495 - 480

D ho tr do mch carbon D bin dng do mch carbon D bin dng do mch carbon

3.2 Tn s hp thu ca Alcohol v phenol: Cc vn hp thu c trng ca hai hp cht ny do dao ng ho tr ca lin kt O H v C O . Cc vn hp thu ny chu nh hng rt mnh ca lin kt hydrogen ni phn t v lin phn t. Tn s hp th thay i cng mnh khi dao ng ho tr C O v dao ng bin dng OH c s kt hp vi nhng hydro lin tip (bng 6 v 7). Bng 6: Tn s hp thu c trng ca alcohol Nhm Dao S sng (cm-1)
22

Ghi ch

Ph Hng Ngoi v ng Dng Trong Thc Phm ng OH t do (kh hoc DD tht long) VOH 3650 3590 (b) * Mi hp thu thng nhn,cng tng dn theo Alcohol thm<tam<nh<nht: - Alcohol nht, thng - Alcohol nh, thng - Alcohol tam, thng - Dng R-O-H-O-C< * D bin dng trong mt phng (nhn) * D bin dng ngoi mt phng(t) * Thng t: lin kt hydro cng mnh, s sng cng gim - Alcohol thng - C lin kt hydrogen gia nhm OH v h thng pi ca nhn thm * D bin dng trong mt phng (t) VOH ca phenol, acid cng vng ny, bao trm c vng hp thu ca vn VCH.

OH(tmp) OH(nmp) OH lin kt hydro (DD m c) VOH

3640 3630 3625 3620 3620 3610 3460 3450 1410 1260 (m) 700 - 600 3600 3200 (m) 3300 3580 3480

OH(tmp) OH lin kt hydro ni phn t VOH

1500 - 1300 3200 2500 (b)

H2O kt tinh H2O trong DD H2O m COH

VOH VOH VOH VC-O

3600 3100 (y) 1640 1615 (y) 3710 3500 3450 1205 1030 (m): 1065 1030 Alcohol nht, thng 1125 1085 Alcohol nh, thng 1205 1125 Alcohol tam, thng (D ho tr CO ca ether,ester,acid v anhydric carboxylic hp thu mnh trong vng t 1300 1000 cm-1)

Bng 7: Tn s hp th c trng ca phenol Nhm OH Dao ng VOH S sng(cm-1) 3620 3590 3650 3600
23

Ghi ch DD long, dung mi khng phn cc C nhm th rt in t v tr

Ph Hng Ngoi v ng Dng Trong Thc Phm ortho ngn cn to lin kt hydrogen Mu lng, rn hay DD m c v khng c nhm th rt in t v tr ortho Lin kt hydrogen ni phn t Mu rn hay DD c s to lin kt hydrogen mnh (t)

3400 3230 3200 2500 720 600 OH(nmp) -C-OH VC-O 1205 1030(m): 1255 1240, 1175 1150, 835 745 1320 1185 1300 - 1200

Alkyl phenol (3mi)

phenol th ortho (1 mi) phenol th meta (1 mi) phenol th para (1 mi)

Dao ng ho tr ca nhm NH i khi cng ln trong vng ca nhm OH lin kt hydro, nhng vn NH thng nhn ( v to lin kt hydro yu) v c cng yu hn vn OH. 3.3 Tn s hp thu ca ether, epoxide v peroxide: Cc hp cht ether, epoxide c cha nhm chc COC, trong lin kt CO c lc lin kt v khi lng thu gn tng ng vi lin kt CC nn c cc vn hp thu xut hin tn s rt gn vi tn s ca lin kt CC v d gy nh hng ln nhau. Tuy nhin, cng ca vn hp thu CO mnh hn nhiu so vi cng ca cc vn hp thu CC. Cc hp cht peroxide v hydroperoxide gm hai dng lin kt chnh l lin kt CO v lin kt OO.Cc gi tr tn s hp thu ca cc hp cht trn c tm tt trong bng 8. Bng 8: Tn s hp thu c trng ca ether, epoxide v peroxide Nhm COC (ether) Dao ng VC-O-C(x) S sng (cm-1) 1270-1030(m): 1150 1060 1225 1200 1270 1030 1270 1230 1090 1470 - 1230 Ghi ch D ho tr i xng: Ether thng, no Ether thng, khng no Ether vng Ether thm Ether benzylic D ho tr bt i xng, chu nh hng ca nhm gn trc tip vo nguyn t oxy

VC-O-C(bx)

COC (epoxide)

Vvng

1250
24

Ph Hng Ngoi v ng Dng Trong Thc Phm VC-O v VC-C(bx) VC-H CO (peroxide v hydroperoxide) OO (peroxide v hydroperoxide) VC-O 950 810 D ho tr bt i xng do s ghp cp ca lin kt C-O v C-C Dao ng ho tr C-H ca vng

3060 2990 1300 1000

VC-O

900 830

Khng xut hin peroxide i xng

3.4 Tn s hp thu ca hp cht carbonyl: Vn hp thu ca nhm carbonyl l mt vn c trng rt c ch khi nghin cu cu trc v c cng rt mnh v xut hin trong vng c tn s xc nh (mi hp thu do dao ng ho tr ca C=O xut hin trong vng t 1870 1540 i vi andehyde, cetone, acid v ester chu nh hng ca nhng mi hp thu khc khng ng k). Ni chung, cc yu t lm tng lin kt i ca nhm carbonyl s lm tng lc lin kt v do lm tng tn s hp thu v ngc li: - Tng mt t khi c mt nhm rt in t gn vo nhm carbonyl. - Gim mt t (khong 15 40cm-1) khi carbon ca nhm carbonyl khng no (tr amide). - Gim mt t (khong 40 60 cm-1) khi c mt lin kt hydrogen lin hay ni phn t. - Gim mt t khi nhm carbonyl gn vo vng nh(v d cyclobutanone hay cyclopropanone) so vi vng ln. Cng hp thu ca nhm carbonyl acide mnh hn so vi ester, ester mnh hn so vi cetone v aldehyde. Cng cn lu rng vn hp thu do dao ng ho tr ca lin kt C=O thng c mt mi ha tn cng yu tn s khong 3500 3300 cm-1. Cetone: Tn s hp thu c trng ca mt s cetone c trnh by bng 9. Bng 9 Tn s hp thu c trng ca cetone Nhm C=O (cetone thng no hoc vng ln hn 5 carbon) Dao ng VC=O Tn s (cm-1) 1765 1735 (m) 1745 1715 (m) 1725 1705 (m) 1700 1680 (m) 1700 1660 (m) 1750 1725 (m) 1765 1745 (m)
25

Ghi ch o mu trng thi hi DD long Mu lng hay DD m c Cetone thm(nhiu nhn lin hp) Cetone - ethylenic Cetone - halogen Cetone dihalogen

Ph Hng Ngoi v ng Dng Trong Thc Phm 1660 1690 1655 C=O(tmp) 1435 1355 1435 1405 1360 1355 630 629 540 - 510 1610 (m) Orthoquinone Parequinon (mt hay hai mi hp thu) Chu nh hng ca nhm alkyl v tr carbon : Nhm methylen (-CH2-CO-) Nhm methyl (-CO-CH3) Dng CCOC Dng CC=O Rt mnh

C=C VC=C (-dicetone) Aldehyde: Lin kt C=O c tn s dao ng cng nguyn tc vi cetone, nhng cao hn mt t. Ngoi lin kt C=O, aldehyde cn c lin kt C H (bng 10). Bng 10: Tn s hp thu c trng ca aldehyde. Nhm C=O Dao ng VC=O Tn s(cm-1) 1740-1720 (m) 1715-1695 (m) 1705-1685 (m) 650-580 (m) Ghi ch Aldehyde no Aldehyde thm Aldehyde -ethylenic Aldehyde thm Gm hai mi, tn s thay i theo mch carbon v nh hng ca nhn thm: Benzaldehyde (mt mi), Aldehyde thm (hai mi) C th xut hin thm mi 2870-2830 do hiu ng Fermi

CH

C=O (nmp) VC-H

C=O (tmp)

2900-2860 2830-2810 v 2745-2720 1390

Anhydride acid: Ngoi hai mi hp thu c trng do dao ng ha tr i xng v bt i xng ca hai lin kt C=O ghp trong h thng COOCO trong anhydride acid, cn c dao ng ha tr ca nhm chc COC (bng 11). Bng 11: Tn s hp thu c trng ca anhydride acid Nhm COOCO Dao ng VC=O Tn s (cm-1) 1840-1800 v 1715-1695 (m) Ghi ch Anhydride acid thng, no (hai mi)

26

Ph Hng Ngoi v ng Dng Trong Thc Phm 1830-1780 v 1755-1710 (m) 1870-1820 v 1800-1750 (m) COC VC-O 1185-980 1050-1040 1300-1210 Anhydride thm hay khng no (hao mi) Vng nm cnh no. Anhydride ngn. thng, mch

Anhydride thng, mch di. Anhydride vng.

Carboxylic acid: Do c kh nng to lin kt hydrogen mnh, acid carboxylic thng hin din dng nh hp (dimer) trong dung dch m c. Ph hng ngoi ca acid carboxylic c hai mi hp thu c trng: mt mi m rngdo dao ng ha tr ca lin kt O-H v mt mi ca dao ng ha tr C=O, c cng mnh hn ca cetone hay aldehyde (bng 12). Bng 12: Tn s hp thu c trng ca carboxylic acid Nhm CO Dao ng VC=O Tn s(cm-1) 1725-1700 (m) 1760 1715-1680 Ghi ch Dimer Monomer (gim khi mch carbon cng di) Acid thm hay acid -ethylenic (acid thm c s kt hp ni phn t gia nhm COOH v nhm OH v tr ortho lm gim khong 50cm-1 Acid thng, di(n>3); mi ch ba Acid thm

OH COO >C=CHCOOH

VOH -CO-O

3300-2500 675-590 570-545

Carboxylate COO-: Ion carboxylate c hai vn hp thu do dao ng ha tr i xng, bt i xng v mt vn do dao ng bin dng (bng 13). Bng 13: Tn s hp thu c trng ca ion Carboxylate Nhm COODao ng VC=O(x) Tn s(cm-1) 1610-1550(m) 1690 172-1700 1450 760-400 Ghi ch Mi c trng, khi mui khng c nhm rt in t. Khi mui c nhm rt in t, v d CF3. Mi ch hai hay ba khng c nhm rt in t). Khi mui c nhm rt in t.

VC=O(bx) -CO-O

27

Ph Hng Ngoi v ng Dng Trong Thc Phm Eter v lactone: Tt c cc eter v lactone u c mi hp thu c trng bi dao ng C=O v O-C. Dao ng C=O chu nh hng ca cu trc hp cht ging nh cetone (bng 11.14). Nhng - lactone v lactone vng ln (>=6) c tn s hp thu ca C=O tng t eter. Nhng lactone vng nh nh - lactone c tn s dao ng tng mt t.

Bng 14: Tn s hp thu c trng ca Eter v lactone Nhm CO Dao ng VC=O Tn s(cm-1) 1750-1725(m) 1730-1705(m) 1800-1750 1770-1740 1780-1760 1820 1275-1185 v 1160-1050 (m) 1310-1250 v 1200-1100 (m) Ghi ch Eter thng, no Eter thm hay khng no Aryl v vinyl ester Ester c nhm rt in t gn vo C- Lactone nm cnh Lactone bn cnh Ester thng (hai mi) Ester thm hay khng no

COC

VC-O

Halogenur acid: c dao ng ha tr C=O ph thuc vo loi halogen (bng 15). Bng 15: Tn s hp thu c trng ca Halogenur acid Nhm CO Dao ng VC=O Tn s(cm-1) Acid thng no: 1865-1840(m) Fluoride acid 1615-1790(m) Chloride acid 1805-1795 Bromide v iodide acid( Acid thm hay khng no gim khong 25-45cm-1 so vi acid no) Ghi ch

Mt s hp cht carbonyl khc Ngoi cc hp cht k trn, cn nhiu hp cht khc cng c cha nhm carbonyl nh amide CO-N<, imide CO-N-CO-, urea N-CO-N, Thioacid, Thioester Bng 16 cung cp tn s hp thu c trng ca mt s hp cht carbonyl thng dng khc. Bng 16: Tn s hp thu c trng ca mt s hp cht carbonyl thng dng khc
28

Ph Hng Ngoi v ng Dng Trong Thc Phm Hp cht CONH2 (amide bc 1) Dao ng VC=O VN-H NH O=C-N Mch carbon VC=O VN-H NH O=C-N Mch carbon CON< (amide bc 3) CONCO (imide) NCON (urea) CONH (thioacid v thioester) VC=O O=C-N VC=O VC=O Tn s(cm-1) 1690 1650 3500-3400 3350-3200 1620-1590 1650-1625 700 1420-1400 1700-1670 1680-1630 3460-3300 3270-3100 1550-1510 1570-1515 700 1305-1200 v 700 1670-1630 700 1710 v 1700 1770 v 1700 1660 1640 1720 1720 Ghi ch DD Rn DD long (hai mi) DD m c (hai mi) DD long (mt mi) DD m c (mt mi) Mt hoc nhiu mi hp thu Mt mi DD Rn DD long (mt mi) DD m c (hai mi) DD long (mt mi);ch c amide mch h DD m c (mt mi) Mt hoc nhiu mi hp thu Mt mi DD v rn

CONH (amide bc 2)

Vng su cnh Vng nm cnh RNHCONHR Vng su cnh Vng nm cnh

VC=O

3.5 Tn s hp thu ca hp cht Nitrogen: Cc hp cht cha nitrogen bao gm cc amine, mui ca amine, imine, amidine, nitrile, isonitrile, cyanamine, diazo, mui diazinium bao gm rt nhiu loi lin kt lin quan n nitrogen nh lin kt NH, >C=N, >NC=N, C C c tn s hp thu c tm tt trong cc bng 17 v 18 (mt s hp cht khc cng c cha nitrogen nhng v cn c lin kt C=O nn c xp chung vi nhm hp cht caebonyl v c gii thiu tn s hp thu trong bng 16). Bng 17: Tn s hp thu c trng ca amine v mui ca amine Nhm NH2 Dao ng VNH(bx) Tn s(cm-1) 3500 (tb)
29

Ghi ch DD long

Ph Hng Ngoi v ng Dng Trong Thc Phm (amine bc 1) VNH(x) 3400 (tb) 3400-3330 (tb) v 3330-3250 1650-1560 (tb) 3350-3310 3310-3300 1580-1490 (y) 1515 1250-1020 1340-1250 1350-1280 1360-1310 3000-2800 (tb) 1600-1575 (m) v 1550-1504 (m) 3130-3030 (tb) 1600(m) v 1500(m) 2700-2250 (tb) 1620-1560 (m) 3300-3100 1435-1428 DD m c (hai mi;i xng v bt i xng) DD bin dng li ko DD long (mt mi) DD m c (mt mi) Rt yu Amine nh thm (mt mi) Amine thng, khng lin hp Amine thm, nht Amine thm, nh Amine thm, tam Vn m rng D bin dng (hai mi) o th rn D bin dng(hai mi) Vn m rng-o th rn D bin dng (mt mi) Vn m rng Mt mi

NH >NH VNH NH CN VCN

NH3+ (mui amine nht) NH3+ (aminoacid) >NH2+ (mui amine nh) -NH4+ (mui ammonium)

VNH+ NH+ VNH+ NH+ VNH+ NH+ VNH+ NH+

Bng 18: Tn s hp thu c trng ca imine(>C=N), amidine(>NC=N), nitrile( C=N), isonitrile(N C)cyanamine (>NC N), cyanide(C N), diazonium (ArN=N+, X-) Nhm NH (ca imine) C=N(ca imine) C=N (amidine) C N (nitrile) Dao ng VNH VCN VCN VCN Tn s(cm-1) 34003300 (tb) 16901620 1681580 1515 22602250(b) 22302220(b) Mi imine Mi Amidine rn DD Nitrile thng, no Nitrile khng no, thm(cng bin carbon, theo h thng to phc vi kim C N M ) Nitrile thng, no Nitrile thm (hai mi) Isonitrile thng Ghi ch

lin hp hay i theo mch ni Pi lin hp, loi dng

CN N C

VCN

390-350 580-540 V 430-380 2175-2150

30

Ph Hng Ngoi v ng Dng Trong Thc Phm 2150-2115 (isonitrite) >NC N (cyanamine) C N (ca cyanide) N=N (hp cht diazo) ArN=N+, X(mui iazonium) CNO2 (nitro) RONO2 (nitrate) NNO2 (nitramine) CN=O N+O thm N+O bo VCN VCN VCN VCN VN=O(bx) VN=O(x) VN=O(bx) VN=O(x) VN=O(bx) VN=O(x) VN=O(bx) VN=O(x) VCN 2225-2210 2250-2000 2080-2070 1575(y) 2300-2230 (m) 1560 (m) 1350 1650-1600(m) 1270-1250(m) 1630-1550(m) 1300-1250(m) 1600(m) 1500(m) 1300-1200(m) 970-950(m) Khi lin hp gim khong 30cm-1 Khi lin hp gim khong 30cm-1 Mui dng rn Mui trong DD Rt yu hoc khng xut hin v lin kt-N=N- khng phn cc Isonitrile thm(Isonitrile c mi hp thu c trng phn bit vi nitrile 1595 cm-1)

Rt mnh Mnh

3.6 Tn s hp thu ca hp cht cha phosphor: Bng 19: Tn s hp thu c trng ca hp cht cha phosphor Nhm P H Dao ng VP-H P-H(nmp) P-H(nmp) VP=O Tn s(cm-1) 2440-2350(m) 1090-1080 940-909 1150 1190 1299-1250 1040-910 1000-870 1050-970 1260-1160 Ghi ch Nhn

P=O

Phorus oxide thng Phorus oxide thm Phosphoric ester Rng P-O-C thng P-O-C thm

P OH P O P P O C P O C

VP=O

3.7 Tn s hp thu ca hp cht cha lu hunh: Bng 20: Tn s hp thu c trng ca hp cht cha cha lu hunh
31

Ph Hng Ngoi v ng Dng Trong Thc Phm Nhm S H (ca imine) >C=S CS NH (Thioamide) >S=O >SO2 SO2 O Dao ng VS-H VC=S VN-H VC=S N-H VS=O VS=O Tn s(cm-1) 2600-2550 (y) 1200-1050 3400 1300-1100 (m) 1550-1460 (m) 1060-1040 (m) 1370-1310 (m) 1180-1120 (m) 1420-1330 (m) 1200-1145 (m) Ghi ch Yu hn VO-H v t b nh hng bi lin kt hydrogen 3150 cm-1 khi th rn

D ha tr bt i xng D ha tr i xng

3.8 Tn s hp thu ca hp cht cha ni i lin nhau: Bng 21: Tn s hp thu c trng ca mt s hp cht cha ni i lin nhau Nhm O=C=O Carbon dioxide N=C=O Isocyanate N=N=N Azit N=C=N Carbodilmide >C=C=O Cetene N=C=S Isothiocyanate >C=C=NCeteneimine C=C=C Allen Dao ng Tn s(cm-1) 2349 (m) 2275-2250 (m) Rt mnh; V tr khng b nh hng bi lin hp 2160-2120 (m) 2125-2130 (m) Rt mnh 2150 (m) 2140-1990 (m) Vn rng v rt mnh Ghi ch

2000 (m) 1950 (tb) Nhm allen u mch hoc lin hp vi nhm ht electron thng c hai vn

3.9 Tn s hp thu ca hp cht cha halogenur: Bng 22: Tn s hp thu c trng ca mt s hp cht cha halogenur Nhm C F Dao ng VC-F Tn s(cm-1) 1400-730:
32

Ghi ch Monofluoralkane

Ph Hng Ngoi v ng Dng Trong Thc Phm CF2,CF3 C C Cl VC-F VC-Cl 1100-1000 1350-1120 830-560: 726 649 760-505 (m) 450-250 830-700 1230 (m) 650-485 (m) 300-140 600-200 610-485 1170 (m) 594 v 503 1270-1100 1096-1089 1078-1074 1057-1034 1073-1068 1073-1065 1042-1028 1061-1057 Mch thng

VC-C C-F CCl3 CH2 Cl C Br C I CH2 I CH2 CH2 I Aryl-halogen VC-Cl CH2 VC-Br C-Br VC-I CH2 VC-F VC-Cl (para) VC-Cl (meta) VC-Cl (ortho) VC-Br (para) VC- Br (meta) VC- Br (ortho) VC-I (para)

Thay i theo v tr khng gian ca halogenur trong phn t Dng trans ziczac C-C-C-Cl Dng Gt Rt mnh; c mi ha tn khong 1510-1450 cm-1.

Hai vn

IV. K THUT THC NGHIM V NG DNG PHNG PHP QUANG PH HNG NGOI:
4.1 My quang ph IR: Ph k hng ngoi thng dng hin nay l loi t ghi, hot ng theo nguyn tc nh sau: Chm tia hng ngoi pht ra t ngun c tch ra hai phn, mt i qua mu (2) v mt i qua mi trng o (dung mi) (2) ri c b to n sc (3) tch thnh tng bc x c tn s khc nhau v chuyn n detector (4). Detector s so snh cng hai chm tia v chuyn thnh tn hiu in c cng t l vi phn bc x b hp thu bi mu. Dng in ny c cng rt nh nn phi nh b khuch i (5) tng ln nhiu ln

33

Ph Hng Ngoi v ng Dng Trong Thc Phm trc khi chuyn sang b phn t ghi (6) v ln bn ph hoc a vo my tnh x l s liu ri in ra ph.

Hnh 6: S nguyn l my ph hng ngoi hai chm tia Cc my ph hng ngoi th h mi c ch to theo kiu bin i Fourier (Fourier Transformation Infrared Spectrometer-FTIR Spectrometer). Trong cc my ny, ngi ta dng b giao thoa (giao thit k) Michelson thay cho b to n sc. Giao thoa k Michelson l thit b tch chm bc x thnh hai thnh phn c cng bng nhau ri sau kt hp tr li thnh bc x c cng thay i theo thi gian. S thay i cng bc x ny l do qung ng i ca hai bc x b tch ra khng ging nhau. Gi tr I(t) l hm ca hiu s hai qung ng i ni trn. Giao thoa k gm mt gng c nh M, gng di ng M2 (c th di chuyn tnh tin trn mt ng thng nm ngang) t vung gc nhau v b phn chia chm sng S. Chm bc x t ngun i qua b phn tch S chia thnh hai chm bc x vung gc, mt chm i n gng c nh M cn mt chm i n gng c nh M2. Khi gp gng chng phn x tr li b phn tch S. n y mi chm li chia thnh i, mt na i v ngun cn mt na i qua mu o n detector. Nh vy, chm bc x n mu o gm hai bc x nhp li c thi gian tr khc nhau nn cng bc x thay i theo thi gian, ph thuc vo qung ng d ca bc x n gng di ng M2 (H.7)

Hnh 11.7 Cu to giao thoa k Michelson Detector s ghi nhn s bin i cng bc x theo qung ng d ri chuyn thnh tn hiu in. Tn hiu u tin thu c di dng hm ca in th V theo qung
34

Ph Hng Ngoi v ng Dng Trong Thc Phm ng V=f(d), c my tnh dng php bin i Fourier chuyn thnh hm ca cng I theo nghch o ca qung ng d ( tc d-1 hay s sng v) : V = f(d)I = f(v) So vi my hng ngoi th h c, my hng ngoi bin i Fourier (H.11.8) c rt nhiu u im: vic s dng giao thoa k cho php khe sng rng hn nn cng bc x vo detector s ln hn; t l S/N tng ln nh gim c nhiu; nh s dng my tnh, vic o ph c t ng ho mc cao v ph c th c lu tr v i chiu vi ph chun c trong th vin ca my.

Hnh 8: S nguyn l my ph hng ngoi bin i Fourier Trong qu trnh lm vic, khung s sng ca my ph hng ngoi c th b lch. kim tra, ngi ta thng s dng cc cht chun nh polystirene, ammonia hoc hi nc. 4.2 Cch chun b mu: Ngi ta c th o ph hng ngoi ca cc cht th rn, th lng tinh khit, trong DD hoc th hi. Mu th rn: C ba cch o khi mu th rn: Nghin nh vi mg cht nghin cu vi mt vi git parafin lng (nujol) v p phn thu c gia hai tm NaCl. trnh cc vn hp thu mnh ca parafin 2950-2850 cm -1 v 1450-1350 cm -1 khi kho st s hp thu ca cc nhm C-H, ngi ta c th thay parafin bng hexachlor butadien. Trn mu tht ng u vi KBr theo t l 1:10 hoc 1:100 ri p thnh cc vin mng hu nh trong sut bng my p thu lc. Do KBr c tnh ht m, trn ph hng ngoi thng xut hin cc vn hp thu ca nc 3450 cm -1 . Dng KBr cng cu lu n kh nng xy ra phn ng trao i cation hoc anion trong trng hp cht nghin cu l mui hoc phc cht v c.

35

Ph Hng Ngoi v ng Dng Trong Thc Phm o ph cc cht rn dng mng lng bng cch lm nng chy cht nghin cu hoc lm bay hi dung mi DD cht nghin cu i vi cc cht c kh nng to c mng. Mu th lng tinh khit: Khi mu th lng tinh khit, ngi ta c th chun b mu bng cch p mt git nh cht lng gia hai tm NaCl c mt mng mng dy khong 0,01-0,1mm, gi l mng lng. Mu trong DD: Ho tan cht nghin cu bng dung mi thnh DD c nng 1-5%. Cho DD v dung mi nguyn cht vo hai cuvet c b dy 0,1-1mm v bng vic so snh hai chm tia i qua DD v dung mi c th loi c vn hp thu ca dung mi. Dung mi khng c php hp thu qu 65% bc x chiu vo v cng bc x cn li s qu yu. Ngoi nh hng do bn cht ca dung mi, cng cn lu n b dy ca cuvet. Nhng dung mi thng c s dng l CCl4, CHCl3, CH2Cl2, Cl2C=CCl2 Mc d vng khng hp thu ca CHCl3 hp hn CCl4 nhng kh nng ho tan cc cht ca CHCl3 tt hn nn thng c s dng nhiu hn, c bit l c th o DD c hn trong cc cuvet c b dy nh hn. Cc cuvet thng c ca s bng NaCl, CaF2 hoc AgCl th ca s s b en sau mt thi gian s dng. Mu th hi: Khi mu th hi, hi s c a vo mt ng c bit c chiu di khong 10 cm vi hai u ng c bt bng cc tm NaCl. Trong thc t phn tch cc cht hu c phc tp, ngi ta thng s dng my hng ngoi c ghp vi my sc k kh. Trong h thng sc k kh-hng ngoi (GC/IR), sau khi c tch bng my sc k kh, mi hp phn i ra t ct sc k (tng ng vi mi peak trn sc k ) s c ghi ph hng ngoi (thng dng FTIR) v c lu gi trong b nh ca my tnh. My c th in ra nhng ph hng ngoi ca cc hp phn ng vi cc peak trn sc k m ta quan tm. Nh so snh cc ph mu vi th vin ph chun lu trong my tnh, my c th ch r cu to ca cc hp chun hoc cho bit cc nhm chc c mt trong hp phn . 4.3 ng dng: Cc s liu ghi nhn c t ph hng ngoi cung cp rt nhiu thng tin v cht nghin cu. Di y l mt s ng dng ca phng php quang ph hng ngoi 4.3.1 ng nht cc cht: S liu hng ngoi l mt c trng c th s dng cho qu trnh ng cht ht sc hu hiu. T s ng nht v ph hng ngoi ca hai mu hp cht c th kt lun s ng nht v bn cht ca hai mu hng ngoi vi mc chnh xc kh cao. thc hin qu trnh ng nht, ngi ta thng so snh ph ca cht nghin cu vi ph chun c ghi trong cng iu kin xc nh (hin nay ngi ta thnh lp c b ph chun ca hng ngn hp cht hu c khc nhau gi l Atlas ph hng ngoi). Nu cht nghin cu cha c trong Atlas, ngi ta so snh ph ca cht chun theo ba giai on sau y:
36

Ph Hng Ngoi v ng Dng Trong Thc Phm So snh ph hai cht cng nng trong hai mi trng khc nhau hai trng thi khc nhau ( v d, trong DD v trong cc vin nn). Ghi ph cc cht nng ln so snh cc vn c cng thp. So snh cng cc vn tng ng vi nhau. 4.3.2 Xc nh cu trc phn t: T tn s ca cc vn ph hp thu cho php kt lun s c mt ca cc nhm chc trong phn t, ngha l s liu hng ngoi c th gip xc nh cu trc phn t ca cht nghin cu. Mc chnh xc ca vic xc nh cu trc ph thuc rt ln vo tin cy, chnh xc ca cc tn s vn hp thu trn ph hng ngoi (cc my hng ngoi thng c hiu chnh tn s bng cht chun polytyrol). Ngoi vic phng cc sai lch v tr vn ph do my, khi tin hnh nh tnh bng phng php ny cng cn lu n cc hiu ng kh nng lm dch chuyn ph v vng khc cng nh phi loi tr cc vn hp thu ca dung mi. 4.3.3 Nghin cu ng hc phn ng: Vic nghin cu ng hc phn ng c th c kim tra bng phng php ph hng ngoi bng cch ghi ph hp thu ng vi mt min ph no trong tng khong thi gian thch hp, ngha l s ghi c trc tip ng cong biu din s thay i cng hp thu theo thi gian min ph chn do s to thnh sn phm phn ng hay mt k tc cht ban u. 4.3.4 Nhn bit cc cht: Trc khi ghi ph hng ngoi, ni chung ta c th c nhiu thng tin v hp cht hoc hn hp cn nghin cu, nh: trng thi vt l, dng bn ngoi, tan, im nng chy, im chy, c bit l lch s ca mu. Nu c th th cn bit chc mu l cht nguyn cht hay hn hp. Sau khi ghi ph hng ngi, nu cht nghin cu l hp cht hu c th trc tin nghin cu vng dao ng co gin ca H xc nh xem mu thuc loi hp cht vng thm hay mch thng hoc c hai. Sau nghin cu cc vng tn s nhm xc nh c hay khng c cc nhm chc. Trong nhiu trng hp vic c ph (gii ph) v tm cc tn s c trng khng nhn bit mt cch ton din v cht nghin cu, nhng c l l c th suy on c kiu hoc loi hp cht.Cng cn trnh khuynh hng c gng gii v gn cho mi m ph quan st thy, nht l nhng m ph va v yu trong vng ph phc tp. Mi khi pht hin mt loi cht, ngi ta so snh ph ca cht nghin cu vi ph ca cht nguyn cht tng ng c th nhn nh ng.Hin nay ngi ta cng b mt s tuyn tp ph hng ngoi ca cc cht v cc tn s nhm c trng. 4.3.5 Xc nh tinh khit: Ph hng ngoi c dng xc nh tinh khit ca cc cht Khi thch hp cht khng tinh khit th thng r nt ca m ph ring bit b gim, s xut hin thm cc m ph s lm "nho" ph. Khi tp cht c s hp th mnh IR m thnh phn chnh khng hp th hoc hp th yu th vic xc nh rt thun li.
37

Ph Hng Ngoi v ng Dng Trong Thc Phm V d c th nhn ra mt lng nh xeton trong hidrocacbon v hidrocacbon thc t khng hp th vng ph - 1720cm-1 l s sng c trng cho nhm C = O Phng php ny thng c dng kim tra sn xut rt nhiu loi ho cht quy m cng nghip. 4.3.6 Suy on v tnh i xng ca phn t: V d xt xem phn t NO2 l phn t gm cc nguyn t thng hng hay c cu to un vng. Thc t cho thy ph hp th IR ca NO2 c 3 m 750, 1323, 1616cm -1 (khng ging nh CO2 ch c 2 m ph, nn phn t NO2 phi c cu to un vng. 4.3.7 Phn tch nh lng: Kh nng ng dng ph hng ngoi nh l mt ngnh ca phn tch nh lng ph thuc trang thit b v trnh ca cc phng th nghim. Ngy nay, s ra i ca cc my quang ph hng ngoi hin i, s tng t l tn hiu/nhiu lm cho vic phn tch nh lng cng thm chnh xc v do m rng c phm vi phn tch nh lng. V nguyn tc, vic phn tch nh ng theo phng php ph hng ngoi da vo nh lut c bn ca Lambert Beer: A=lg(Io/I)=abc A: hp th tia IR Io: Cng bc x trc khi qua mu, I: cng bc x sau khi qua mu. a: H s hp th, b: b dy ca mu. c: Nng cht nghin cu. Thc t, ngi ta ch xc nh nng ca mt trong cc nhm chc ca hp cht cn phn tch. V d: c th xc nh nng ca hexanol theo hp th ca lin kit O-H. V thc nghim, c 2 cch xc nh hp th A.
a.

Phng php ng chun:

V d: Xc nh mt cht dng dung dch.Chn s sng thch hp, cho dung dch cn o vo cuvt. Ch s o trn my t l vi I. Li cho dung mi nguyn cht vo Cuvet. Ln ny ch s o c t l vi Io.Theo h thc trn, xc nh c A tng ng vi nng C. nhng my hin i, gi tr A c tnh v ghi trc tip. T cc nng khc nhau bit, o cc gi tr A tng ng, v th A - C.Sau vi nng cn xc nh, cng o A nh trn ri theo th chun m tm C. b. Phng php ng nn: C khi gi tr A cho trc tip trn my.Nu hn hp c nhiu thnh phn c cc m ph xen ph nhau th tm nng ca tng thnh phn phi gii h phng trnh nhiu n (tng t nh phng php ph in t).
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Ph Hng Ngoi v ng Dng Trong Thc Phm Kt qu thu c theo phng php ph hng ngoi b nhng hn ch sau:
-

Cuvt ng mu thng lm bng NaCl, KBr rt mm, d b bin dng, do b dy ca mu (gi tr b) c th thay i t mu ny sang mu khc. Cuvt cng c th b tc ng ho hc ca dung mi. Do dn n sai s trong php o. Sai s ca php o cng cn do nhng nguyn nhn khc. Do hiu ng tp hp ca cc phn t cht ho tan c th dn n s thay i tn s hp th, hnh dng, cng hp th. Do my quang ph hng ngoi khng phn gii cn thit nn khng kh nng o c nhng m ph c tn s rt hp.

Mc d phng php ph dao ng l mt trong nhng phng php hu hiu nht xc nh cc cht v nh tnh cng nh nh lng, c ng dng rng ri trong nghin cu khoa hc cng nh trong kim tra cng nghip, phng php ny cng c nhng hn ch nht nh: Bng phng php ph hng ngoi khng cho bit phn t lng (tr trng hp c bit). - Ni chung ph hng ngoi khng cung cp thng tin v cc v tr tng i ca cc nhm chc khc nhau trn mt phn t. Ch ring ph hng ngoi th i khi cha th bit l cht nguyn cht hay cht hn hp v c trng hp 2 cht c ph hng ngoi ging nhau.

V.

NG DNG PH HNG NGOI TRONG THC PHM:

NG DNG QUANG PH HNG NGOI BNG PHNG PHP FT IR XC NH AXT BO OMEGA-3 TRONG M C BASA:

Phng php FT IR (Fourrier Transformation InfraRed) hot ng da trn s hp th bc x hng ngoi ca vt cht cn nghin cu. Phng php ny ghi nhn cc dao ng c trng ca cc lin kt ha hc gia cc nguyn t. Phng php ny cho php phn tch vi hm lng cht mu rt thp v c th phn tch cu trc, nh tnh v c nh lng. C th t d nhy rt cao ngay c khi mu ch c b dy c 50 nm.... Con ngi bit n nhiu c chng li bnh tim mch, tng cng sc khe nhng h cha bit ti sao c li c tc dng nh th. chnh l nh trong c c axit bo omega-3. Nguyn t vi lng ni ting ny gip ngn nga nhng bnh mn tnh nh bnh tim, vim khp, lm gim lng choresterol, iu ha huyt p, ci thin chc nng phi nhng ngi ln b hen suyn, gim nguy c ung th v ph nNhu cu xc nh omega-3 trong cc loi c l rt cn thit. Trong phn ng dng quang ph hng ngoi trong thc phm, nhm chng em xin gii thiu ng dng quang ph hng ngoi s dng k thut FT-IR xc nh omega-3 trong m c basa, loi c m hin nay c nui rt nhiu nc ta nht l ng bng Sng Cu Long cho mc ch xut khu v tiu dung ni a. Vic ng dng phng php ny gip cho cc nh nui trng thy sn, cc nh sn xut du n, thc phm v cc sn phm lien quan ti loi axt ny c thm c s l lun v thc tin pht trin ngnh ngh.
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Ph Hng Ngoi v ng Dng Trong Thc Phm

5.1 GII THIU AXT BO OMEGA-3:

Omega 3 l tn gi chung axt bo khng no trong mi lin kt i u tin c gn vo carbon v tr th 3 ca dy alkyl (n-3). Axt -Linolenic (ALA), axt Eicosapentaenoic (EPA) v axt Docosahesaenoic (DHA) l cc axt bo rt cn thit cho sc khe ca con ngi nhng c th chng ta khng th t to ra m phi b sung t ngun thc n. Cc axt ny thuc nhm axt bo c tn l axt bo omega-3. ALA c nhiu trong du thc vt nh du lanh. Khi n vo c th chng ta s bin ALA thnh EPA v DHA. y l hai loi axt bo m c th chng ta d dng hp thu. EPA v DHA ch yu c trong c vi hm lng khc nhau.
a.

Cng thc phn t: Axt Linolenic (ALA): C18H30O2. Axt Eicosapentaenoic (EPA): C20H30O2 Axt Docosahesaenoic (DHA): C22H32O2

b.

Cng thc ha hc:

Axt Linolenic: CH3CH2CH=CHCH2CH=CHCH2CH=CH(CH2)7COOH Axt Eicosapentaenoic: CH3CH2CH=CHCH2CH=CHCH2CH=CHCH2CH=CHCH2CH=CH(CH2)3COOH Axt Docosahesaenoic: CH3CH2CH=CHCH2CH=CHCH2CH=CHCH2CH=CHCH2CH=CHCH2CH =CH(CH2)2COOH
5.2 PHN TCH NH LNG TNG CC AXT BO KHNG NO BNG K THUT FT-IR:

ghi ph FT-IR ca cc mu, chng ta s dng phng php vin nn KBr. Sau khi to vin nn bng my thy lc th trng mt lp cht bo (c trch ly bng my Soxhlet) tht mng v u trn b mt vin KBr. Sau ghi ph iu kin: Hnh 1 l ph FT-IR ghi c ca m c basa. phn tch nh lng, chng ta chn mi dao ng ha tr bt i xng as (=CHR) s sng ~ 3.000 cm-1 (hnh 1) v dung mi s dng thch hp l CCl 4. Trong m c, thng axt bo khng no chim hm lng ln l Olenic (C18:1). Do , chng ta chn cht chun l axt ny dng ng chun. Cn 49,9 mg Olenic v pha long vi cc lng CCl4 thch hp co cc dung dch c cc nng tng ng l 9,52 ppm; 15,87 ppm; 31,74 ppm; v 79,36 ppm. Sau cho tun t cc dung dch vo cuvet (d=0,5 cm) v ghi ph FT-IR phn gii 4 cm-1 v 10 scan (s sca t v dung mi bay hi nhanh). Dng ng chun tng ng vi cc s liu ny. Cn 500,6 mg cht bo (c trch bng my Soxhlet) v pha long bng dung mi CCl4 vi lng thch hp cho nng nm trong vng ng chun. Sau cng cho dung dch ny vo cuvet nh trn v ghi ph FT-IR vi cng iu kin nh cc dung dch chun. hnh 2 l ph FT-IR ca cc dung dch chun v mu kho st. Kt qu tnh ton cho ra hm lng ca tng cc axt bo khng no trong m c basa l 61,01%.
5.3 THO LUN SO SNH:
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Ph Hng Ngoi v ng Dng Trong Thc Phm theo di s bin i cc thnh phn axt bo theo nhit trch ly cht bo: Trch nhit lnh (40C), trch bng phng php Soxhlet (700C) v chin. Bng di y trnh by kt qu ca cc thnh phn cht bo theo nhit trch ly.

STT Tn axt bo 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 Lauric Myristic Pentadecanoate Paimitic Hexadecenoic Hexadecanoic Stearic Oleic 9,11-Octadecadienoic Linolenic Eicosanoic 11-Eicosenoic 11,14-Eicosadienoic Arachidonic Eicosapentaenoic Docosanoic Docosahexaenoic Tng bo no Tng bo khng no mt Tng bo khng no mt ni i Tng bo khng no nhiu ni i

Lnh (40C) 0,24 4,39 0,25 22,97 3,50 0,33 9,63 39,94 9,76 0,41 0,47 1,66 0,53 0,72 0,31 0,21 0,32 38,69 61,31 45,22 16,09

Nng (chin) 0,19 5,91 0,24 30,19 2,27 0,25 8,46 40,01 5,85 0,40 0,29 1,41 0,37 0,40 0,72 0,13 45,53 54,47 43,69 10,78

Soxhlet (700C/6h) 0,07 4,44 0,13 32,04 1,33 0,14 7,76 41,17 8,03 0,21 0,35 1,80 0,81 0,40 44,93 55,07 44,30 10,77

Kt qu phn tch tng axt bo khng no theo phng php FT-IR l 61,01% l rt ph hp vi kt qu phn tch theo phng php trch nhit lnh l 61,31%. Trong khi trch bng phng php Soxhlet nhit 700C l 55,07%. iu ny cho thy c s thay i tng axit bo khng no theo nhit trch ly. Kho st s bin i thnh phn axt bo theo nhit trch ly cht bo cho thy nhit cao lm tng tng hm lng axt bo no t 38,7% n 45,1% v lm gim lng axt bo khng no t 61,3% xung cn 54,5%. c bit, nhit cao qu lu axt bo omega-3 nht l DHA loi cn thit cho no b con ngi s hon ton bin mt.
5.4 KT LUN:

Chng ta xc nh c c ba loi axt bo omega-3 trong m c basa vi tng hm lng ln hn 1% trn tng lng cht bo. c bit, l c s hin din ca DHA l loi cn thit cho nhu cu dinh dng ca con ngi v c c tnh chng ung th m c th khng to ra c. Tuy nhin, DHA rt nhy cm vi s oxy ha nn nu ch bin c nhit cao s lm bin i hon ton loi axt ny. nhit cao, kt qu phn tch cn cho thy c s thay i t l thnh phn cc loi axt bo : Tng axt bo no tng ln, trong khi tng axt bo khng no gim xung. iu ny, lm gim cht lng ca m c basa.
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Ph Hng Ngoi v ng Dng Trong Thc Phm C th da vo vic phn tch nh lng tng lng axt bo khng no bng k thut FT-IR trong dung mi CCl4 xc nh cht lng mt loi du m ng thc vt.

VI.

NHNG LOI MY QUANG PH TRN TH TRNG HIN NAY:

6.1 My quang ph hng ngoi bin i Fourier:

Thng tin chi tit My quang ph hng ngoi bin i Fourier (FT-IR) Model: Nicolet 6700 - ThermoNicolet (M) t tnh k thut: - phn gii quang hc : 0.09 cm 1 - chnh xc s sng: 0.01 cm-1 - tuyn tnh theo tieue chun: ASTM: <0.07%T
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Ph Hng Ngoi v ng Dng Trong Thc Phm - nhiu gia cc nh: (qut 1 pht) <8.68 x10-6 AU (50000:1) - nhiu RMS: (qut 1 pht): <1.95 x 10-6 AU - Di ph (thang d): tiu chun 7800 - 350cm-1 s dng b tch tia KBr - Tc qut chm nht: 0.158cm/giy - Tc qut nhanh nht: 6.33cm/giy - S tc qut: 15 - Tc qut nhanh (ph/giy @16cm-1, 32cm-1): 65.95 - Kh nng tng cng sut trong ch Turbo: 25% - Bc sng: 12500 - 350cm-1 - khe sng: c th iu chnh khe ph hp theo yu cu: 0.8, 1, 2, 4,8, 16cm-1 - T s S/N: <8.68 x 10-6 AU (50000: 1) - chnh xc bc sng: 0.01 cm-1 - lch chun: 0.07%T - in p: 220 - 240V/50Hz - Kch thc: 69.2 x 65.5 x 25.4cm (Rng x su x cao) - Khi lng: 69 kg Cc tiu chun p dng: CE v ISO 9001

6.2 My quang ph hng ngoi gn (FT-NIR):

My quang ph hng ngoi gn (FT-NIR) c s dng rng ri trong phn tch ha hc t. y l mt cng c nhanh v chnh xc phn tch mu lng, rn v vt liu keo m khng lm ph hy mu, tit kim chi ph bng cch gim thi gian thc hin v ha cht s dng. H thng c tch hp gng cu (integrating sphere), dng cho phn tch cc vt liu khng ng nht di dng phn x khuch tn m khng cn chun b mu. Phn tch hiu qu, tn t chi ph nh s dng cc dng c d ra nh cc mu, beaker, a Petri thm ch bc nha. H thng cho php thc hin c hai phng php o truyn qua hoc phn x. Cc lnh vc ng dng chnh trong thc phm v thc n gia sc bao gm: sn xut b sa v tht, thc ung, thnh phn bnh m v gia v cng nh ht, ging, thc n gia sc. y, cc tham s nh protein, cht bo, tinh bt, m, kh c phn tch, cng c th phn tch cc tham s chuyn su hn nh hm lng cn, nit. Model MPA l s la chn hon ho cho yu cu v qun l cht lng. Xc nh v nh gi vt liu th v phn tch s lng sn phm cng thc hin c bo m cht lng sn phm cao nht v an ton cho ngi tiu dng. Tt c nhng iu trn c trng i nhiu hn my quang ph hng ngoi MPA FT-NIR. c tnh k thut:

phn gii: 2 cm-1 Kh nng lp li s sng: Tt hn 0.04 cm-1

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Ph Hng Ngoi v ng Dng Trong Thc Phm

chnh xc s sng: tt hn 0.1 cm-1 chnh xc trc quang: tt hn 0.1% T

B giao thoa k: RockSolidTM, c cn chnh c nh vnh vin, n nh cao. Ngun hng ngoi: Ngun NIR c lm lnh bng khng kh nng lng cao. Laser loi 1: an ton ti a cho ngi s dng. B tch tch tia bng thch anh (Beamsplitter Quartz): cht nn vi lp ph ngoi c cp bn quyn. B qut: c cu khng mn (khng ma st) (khng cn khng kh nn), 4 tc gng c th la chn c. B chuyn i A/D: 24-bit. Chun d liu (Validation): B chun trong (Internal Validation Unit IVU). Kch thc my quang ph: 40.0(W) x 58.9(D) x 26.2(H) cm (dng c bn) 54.9(W) x 58.9(D) x 39.1(H) cm (dng hon chnh)

Khi lng: 30 - 40 kg (ph thuc vo cu hnh my) Ngun: 100 - 240 VAC, 50, ti a 180 W Giao thc my tnh: kt ni Ethernet.

TI LIU THAM KHO 1. Nguyn Th Thu Vn, Phn tch nh lng, NXB i hc Quc gia TP.HCM, 2004.
2. PGS, TSKH. Nguyn nh Triu, Cc phng php phn tch Vt l v Ha l

Tp 1, NXB Khoa hc v K thut, H Ni, 2001. 3. Dng i Phng, Quang ph phn t v ng dng, NXB i hc Quc gia TP.HCM, 2002. 4. Ths. L V Tun Hng, trng HKH T nhin TS.Nguyn Anh Tun, Vin ITMS, H Bch khoa H Ni, ng dng vt l vo pht trin, sn xut v i sng, TP.HCM, 2004.
5. Nguyn Th Hoa, Bo co tt nghip vi ti Xc nh cc axt bo bng phng

php ph dao ng FT RAMAN, Ph hng ngoi IR kt hp vi tnh ton lng t, Kha lun tt nghip Khoa Vt l Trng HKHTN.
6. http://www.congnghehoahoc.org/forum/showthread.php?t=913 Din n cng

ngh ha hc.
7. Francis

Rouessac and Annick Rouesssac, Chemical Analysis Modern Instrumentation Methods and Techniques, 2007 by John Wiley & Sons Ltd.
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