HA I CNG

Chng 4: Lin kt ha hc v cu to phn t

Slide 1 of 48

General Chemistry:

HUI 2006

Ni dung
1.
2.
3.
4.
5.
6.
7.

Nhng khi nim c bn v lin kt ha hc

Lin kt ion
Lin kt cng ha tr
Lin kt kim loi
Lin kt hyro
Lin kt Van Der Vaal
Bi tp

Slide 2 of 48

General Chemistry:

HUI 2006

4.1 Nhng khi nim c bn v lin kt ho hc

4.1.1 Bn cht ca lin kt.
Theo quan im hin i cc loi lin kt ho hc u c bn
cht in v suy cho cng l do tng tc ca cc ht mang in l
ht nhn nguyn t v electron
Trong lin kt ha hc ch c electron ca cc phn lp ngoi
cng thc hin: ns, np, (n-1)d v (n-2)f (chng c gi l cc
electron ha tr)
Theo CHLT, nghin cu lin kt l qu trnh nghin cu s phn
b mt electron trong trng ht nhn ca cc ht nhn ca
cc nguyn t to ra phn t.
Cc loi lin kt ch yu trong ho hc l lin kt cng ho tr v
lin kt ion,ngoi ra cn c cc lin kt kim loi, v cc lin kt
yu hn lin kt cng ho tr l lin kt Van der Valls, lin kt
hydro
Slide 3 of 48

General Chemistry:

HUI 2006

4.1.2 Mt s c trng ca lin kt

. 1. di lin kt:
l khong cch gia hai ht nhn nguyn t lin kt vi nhau.
V du Lin kt: H-F

H-Cl

H-Br

H-I

d (A0)
0,92
1,28
1,42
1,62
Cng thc tnh gn ng di lin kt (khi cc nguyn t c
m in gn bng nhau): dA-B= rA + rB
Nu m in khc nhau nhiu th: dA-B = rA + rB- 0,09| A - B |

Slide 4 of 48

General Chemistry:

HUI 2006

 di lin kt
di lin kt ph thuc vo:

Kiu lin kt, di lin kt gim khi bi lin kt

tng ln.
Nng lng lin kt:nu nng lng lin kt cao th
di lin kt nh
di lin kt ph thuc vo trng thi ho tr ca cc
nguyn t, bn hp cht.
di lin kt c th xc nh chnh xc bng thc
nghim.nh cc phng php vt l hin i : nhiu x
rngen, nhiu x electron, quang ph phn tCn tnh
ton bng l thuyt th ch cho chnh xc tng i
Slide 5 of 48

General Chemistry:

HUI 2006

 mnh axit

bn lin kt H-A (kJ/mol)

Slide 6 of 48

General Chemistry:

HUI 2006

2 Gc ho tr
Gc ho tr l gc to thnh bi 2 on thng ni ht
nhn nguyn t trung tm vi 2 ht nhn nguyn t lin
kt.
Gc ho tr ph thuc vo bn cht nguyn t tng tc,
kiu hp cht, cu hnh khng gian ca phn t.

Slide 7 of 48

General Chemistry:

HUI 2006

Gc ho tr

Slide 8 of 48

General Chemistry:

HUI 2006

ng thng- CO2

BCl3 tam gic

Slide 9 of 48

NH3 hnh chp

T din, CH4
General Chemistry:

HUI 2006

3. Bc lin kt
Bc lin kt l s lin kt to thnh gia 2 nguyn t
tng tc trc tip vi nhau
i vi lin kt cng ho tr th bc lin kt c xc
nh bi s cp e tham gia lin kt gia hai nguyn t
Lin kt n c bc lin kt l 1, lin kt i c bc lin
kt bng 2, lin kt ba c bc lin kt bng 3
i vi cc h lin hp, bc lin kt khng phi l s
nguyn m s thp phn
V d trong benzen bc lin kt C-C l 1,5

Slide 10 of 48

General Chemistry:

HUI 2006

4. Nng lng lin kt

Nng lng lin kt l nng lng thot ra khi to thnh
lin kt v cng bng nng lng cn tiu tn ph
hy lin kt c trong 1 mol phn t trng thi kh
Lu : Nng lng lin kt v nng lng phn ly ca lin
kt trng nhau khi phn t ch 2 nguyn t
v d EH-H = EplH2 = 431 kj/mol
Nhng i vi phn t nhiu nguyn t th nng lng
lin kt c ly gi tr trung bnh, n khng trng vi nng
lng phn ly tng lin kt mt trong phn t

v d CH4
Slide 11 of 48

General Chemistry:

HUI 2006

 Nng lng lin kt ph thuc vo di lin kt, bi

lin kt, bn lin kt

Slide 12 of 48

General Chemistry:

HUI 2006

5. Momen lng cc ca lin kt

trng cho phn cc ca lin kt v phn cc
ca phn t l i lng momen lng cc n v : D
c

Momen lng cc l i lng vector chiu quy c

t trng tm in tch dng qua in tch m

H F

Slide 13 of 48

General Chemistry:

HUI 2006

Momen lng cc

Slide 14 of 48

General Chemistry:

HUI 2006

4.1.3 S lc v l thuyt lng t v lin kt ho hc

v cu to phn t
Bn cht ho hc ca lin kt ho hc v cu trc phn
t c gii quyt kh tt trn c s ca CHLT
Hin nay ngi ta cho rng phn t gm mt s gii hn
cc ht nhn nguyn t v cc electron tng tc vi
nhau v c phn b xc nh trong khng gian, to
thnh mt cu trc bn vng
C nhiu thuyt khc nhau gii thch bn cht ca lin
kt ho hc, nhng thuyt c s dng rng ri nht l
thuyt lin kt ho tr VB v thuyt MO .
C s ca phng php l gii phng trnh sng
Schrodinger i vi cc h phn t gm cc ht nhn v
cc electron chuyn ng trong trng cc ht nhn
Slide 15 of 48

General Chemistry:

HUI 2006

4.2 Lin kt ion

4.2.1 Thuyt tnh in v lin kt ion ca Kossel (Kossel
1888-1967,ngi c).
Nm 1916 Kossel cho rng phn t ca hp cht ho hc
c to ra nh s chuyn electron ho tr t nguyn t
ny sang nguyn t khc. Nguyn t mt electron ho tr
bin thnh ion dng gi l cation v nguyn t nhn
electron bin thnh ion m gi l anion.
Cc ion ngc du ht nhau nn tin li gn nhau, nhng
khi n qu gn nhau th s xut hin lc y ca cc lp
v electron, khi lc ht v y cn bng nhau th cc ion
dng li v to thnh phn t hp cht ion
Nh vy lin kt ion l loi lin kt c to thnh nh
lc ht tnh in gia cc ion tri du

Slide 16 of 48

General Chemistry:

HUI 2006

V d

+
Na
Slide 17 of 48

Cl
General Chemistry:

HUI 2006

(Na)

Na mm v
d phn ng,
c 1 electron
lp ngoi
cng

11P
12N

Na
Slide 18 of 48

Na = 2,8,1
General Chemistry:
HUI 2006

(Cl)
Clo kh c c mu vng
nht c 7 electron lp
ngai cng
18P
17N

Clo= 2,8,7
Slide 19 of 48

General Chemistry:

HUI 2006

11P

17P

12N

18N

Na
Slide 20 of 48

General Chemistry:

Cl
HUI 2006

11P

17P

12N

18N

Na48
Slide 21 of

General Chemistry:

Cl
HUI 2006

Cl nhn electron t Na

11P

17P

12N

18N

Na
Slide 22 of 48

General Chemistry:

Cl
HUI 2006

Lin kt ion
Cl-

Na +

2,8,8

2,8

11P

17P

12N

18N

Slide 23 of 48

General Chemistry:

HUI 2006

C Na v Cl c 8 electron lp v ngoi cng v to thnh hp cht

NaCl
Na+

Cl-

2,8

2,8,8

11P

17P

12N

18N

Lc lin kt gia
Nguyn t Na v
Cl vi nhau
Slide 24 of 48

General Chemistry:

HUI 2006

4.2.2 Kh nng to thnh lin kt ion ca cc nguyn t

Cc nguyn t c nng lng ion ho I cng nh
kh nng to thnh cation cng d, in hnh cho
kh nng ny l cc kim loi kim v kim th
Cc nguyn t c i lc i vi electron cng ln
cng d to thnh cc anion, in hnh cho cc
nguyn t ny l cc halogen, oxy, lu hunh.
Nh vy lin kt ion d c to thnh gia
nguyn t c tnh kim loi mnh v nguyn t c
tnh phi kim mnh
Slide 25 of 48

General Chemistry:

HUI 2006

 S chnh lch m in ca cc nguyn t cng ln

tnh ion ca hp cht cng cao.
Mi quan h gia ion (%) v hiu s m in cc nguyn t
theo Pauling

0,2
0,4
0,6
0,8
1,0

ion %

1
4
9
15
22

1,2
1,4
1,6
1,8
2,0

ion %

30
39
47
55
63

2,2
2,4
2,6
2,8
3,0

ion %

70
76
82
86
89

Lu : khng c lin kt ion thun tu, v ngay trong trng hp lin kt ion
in hnh nh trong phn t NaCl tnh cht ion ch t c 94%. C l
thuyt ln thc hnh khng nh mt electron gia cc ion khng bao
gi bng khng.

Slide 26 of 48

General Chemistry:

HUI 2006

4.2.3 Tnh cht ca lin kt ion.

Ion c xem nh qa cu tch in c in trng phn
b u mi hng trong khng gian dn n mt s c
im ca lin kt ion nh sau:
Tnh khng bo ha: th hin ch ion c th ht cc
ion tri du vi lng khng xc nh.
Tnh khng nh hng. N c th ht ion tri du theo
bt k hng no.
Cc tnh cht ny ca ion c nh hng n s phn b
ion trong dung dch cng nh trong tinh th. Trong tinh
th: cc ion c bao bc bi cc ion tri du vi lc lin
kt hon ton nh nhau
Slide 27 of 48

General Chemistry:

HUI 2006

4.2.4 S cc ha ion
1. Khi nim Trong cc hp cht ion, ion ca lin kt khng bao gi
t 100%, bi v cc ion ngc du khi n gn nhau th s phn cc
(cc ho) ln nhau Do m my electron ca cation v anion
khng tch ri nhau m che ph 1 phn
Cc ion b phn cc mnh khi cc
e lp ngoi lin kt yu vi ht
nhn
Bn knh ion cng nh, in tch
ion cng ln, cng in
trng cng ln hiu ng gy cc
ha cng cao.
Bn knh ion cng ln, m my
e cng linh ng th cng d b
phn cc
Slide 28 of 48

General Chemistry:

S cc ha ca anion
Cl- trong NaCl
HUI 2006

2. Cc yu t nh hng n cc ha ion.
Kh nng cc ha ca ion xy ra vi mc khc nhau tu thuc
vo in tch, bn knh ion v cu hnh electron ca chng.
Cc ion c cng cu hnh electron, in tch cng ln, kch thc
cng b c kh nng cc ha cng mnh
Li+ > Na+ > K+ >Rb+ > Cs+.
Al3+ > Mg2+ > Na+
Kh nng b cc ha ( b phn cc) ca ion ph thuc vo cu
hnh electron, in tch v kch thc ca n.
+ Ion c cng in tch v cu hnh e th nu c kch thc cng
ln th lc ht ca ht nhn vi electron ngoi cng cng yu nn
chng d bin dng tc d b cc ha.
Li+ << Na+ < K+ < Rb+ < Cs+.
F- < Cl- < Br- < ISlide 29 of 48

General Chemistry:

HUI 2006

+ Nu ion c in tch
ging nhau v khch
thc gn bng nhau th
phn cc nh nht l
cu hnh s2p6 v ln nht
l s2p6d10
Trong hp cht ion,
cation ng vai tr ion
phn cc, cn anion ng
vai tr ion b phn cc.
V anion thng c kch
thc ln, m my
electron linh ng hn
Slide 30 of 48

General Chemistry:

HUI 2006

3. nh hng ca s phn cc ion n tnh cht cc hp ch

S cc ho ion mnh lm gim kh nng in ly thnh ion
BaCl2 in ly mnh trong nc, HgCl2 hu nh khng in ly: Do
cu hnh e ca Ba2+ (5s25p6) tc dng phn cc yu ion Cl-, cn ca
Hg2+ (5s25p65d10 ) tc dng phn cc mnh ion Cl-

bn: phn cc tng h gia cc ion trong mt hp cht lm

tng cng ha tr, gim in tch hiu dng, gim lc ht ion
gia chng nn bn tinh th gim

phn ly, nng chy gim

Cht
Nhit nng chy (0C)

LiF

LiCl

LiBr

LiI

848

607

550

469

Na+ v Cu+ c bn knh bng nhau, NaCl c t0nc= 8010C

nhng CuCl c tonc = 4300C do Cu+ cc ho mnh hn Na+
Slide 31 of 48
General Chemistry:
HUI 2006

 tan: kh nng ho tan ca hp cht ion (mui) ph thuc vo 2 yu t

l nng lng mng tinh th ion U v nng lng hydrat ho cation E h.
- Nu U > Eh nhiu th mui kh tan, ngc li th d tan
- Nu khi U tng v Eh gim th tnh tan gim v ngc li th tnh tan
tng,
- Nng lng Eh ph thuc v kh nng phn cc nc ca cation, khi
cation phan cc nc mnh th Eh tng.
Th d

Mui

CaSO4

SrSO4

BaSO4

tan (mol/lit)

8.10-3

5.10-4

1.10-5

U (kj/mol)

2347

2339

2262

Eh (kj/mol)

1703

1598

1444

Slide 32 of 48

General Chemistry:

HUI 2006

4.3 Lin kt cng ha tr

4.3.1 Lin kt cng ho tr theo Lewis (1916)
Ni dung c bn: L loi lin kt c hnh thnh bng cch
a ra electron ho tr ca mnh to thnh 1, 2, 3 cp electron
chung gia 2 nguyn t
Nh vy lin kt cng ho tr l loi lin kt bng cp eletron
chung, cp electron chung c gi l cp electron lin kt
Khi to thnh lin kt, cc nguyn t tham gia lin kt c 8
electron lp ngoi cng tng t nguyn t kh him
Cc electron khng tham gia to thnh lin kt cng ho tr c
gi l cc electron khng lin kt lin kt
Khi hai nguyn t lin kt vi nhau bng 1 cp electron chung ta
c lin kt n, 2 cp e chung l lin kt i, 3 cp e l lin kt 3
S lin kt gia 2 nguyn t gi l bc lin kt
Slide 33 of 48
General Chemistry:
HUI 2006

Cng ho tr ca mt nguyn t c xc nh bng tng s lin kt

cng ho tr ca nguyn t vi cc nguyn t khc trong phn t
Lu : Tu theo hp cht c th m lin kt cng ho tr c th l
Lin kt cng ho tr khng c cc

H 2,
Cl2:

Lin kt cng ho tr c cc

HCl:
Lin kt cng ho tr cho nhn: l loi lin kt m cp e
dng chung do mt nguyn t ng gp
+
+
NH
NH3 +
4
H
Slide 34 of 48

General Chemistry:

HUI 2006

Biu din lin kt cng ha tr

2s p

2s p

2 3

2 5

Slide 35 of 48

General Chemistry:

HUI 2006

Quitcbtt

Minguyntkhithamgialin kt ccuhnhelectronlp ngoi

cng c 8 electron gingvikhhim(ns2p6)

Slide 36 of 48

General Chemistry:

HUI 2006

Lewis Structures
H H H or H H

Cl
Cl

General Chemistry:

Lin kt
electrons

Cl
Cl

electrons khng lin kt

or

Cl
+
Cl

Cl2:

H2:

HUI 2006

Drawing Lewis Structures

14 ves

H O
Cl

HOCl

24 ves

COCl2

Cl
C Cl

O
Cl
O

CH3OH

14 ves
H C O
H

HHUI 2006
General Chemistry:

26 ves

ClO3

Cu trc Lewis

CH4:

H F

H O
H

H O
H

H N
H

H
H

H C
H

NH3:

H2O:

H
F

HF:

H N H
H
H
H C H
H

General Chemistry:

HUI 2006

Double and Triple Bonds

Nguyn t c th dng chung 4 electron to
thnh lin kt i hoc 6 electron lin kt ba.

N2:

N N

O
=O

O2:

General Chemistry:

HUI 2006

Quy tc bt t-cch tnh s electron lin kt

S = N-A
S tng s electron dng chung trong phn t.
N l tng s electron cn thit lp ngoi cng
ca tt c cc nguyn t trong phn t thu
c cu hnh kh him (N =8, 2)
A s electron c lp ngoi cng ca tt c
nguyn t c mt trong phn t (chng ta phi
iu chnh A khi nguyn t thay th bng ion)
Thm electron i vi in tch m v tr
electron khi in dng).
Slide 41 of 48

General Chemistry:

HUI 2006

V d
i vi F2
N = 2 x 8 : 16 e cn
A = 2 x 7 (2 nguyn t F ) 14 e sn c
S = N - A =16 -14 = 2 e dng chung

i vi NH+4
N = 1 x 8 ( 1 N ngt) + 4 x 2 (4 H ngt) = 16 e
A = 1 x 5 (1 N ngt) + 4 x 1 (4 H ngt) - 1 (cho 1
in tch +) = 8 e sn c
S = N - A = 16 8= 8 e dng chung
Slide 42 of 48

General Chemistry:

HUI 2006

4.3.2 Lin kt cng ho tr theo

thuyt lin kt- ho tr (Valence bond-VB)

Slide 43 of 48

General Chemistry:

HUI 2006

M u
+ V vic gii chnh xc phng trnh sng Schrodinger i vi
h phn t khng th thc hin c,do ngi ta dng phng
php gii gn ng, trong c hai phng php c s dng rng
ri nht l phng php lin kt ho tr ca Heitler- London-PaulingSlater (VB) v phng php ocbital phn t (MO) ca MullikenHund-Lennard Jones
+Phng php VB xut pht t lun im cho rng mt cp
nguyn t trong phn t c lin kt vi nhau bng mt hoc mt
vi cp electron dng chung, nghi l lin kt c nh ch gia hai
nguyn t. V vy phng php ny cn c gi l phng php
cp electron nh ch hay phng php hai electron- hai tm
+ Vic gii PT Schrodinger theo phng phpVB l tm hm sng
phn t m t chuyn ng ng thi ca hai electron trong phn t
v hm sng c xc nh mt cch gn ng bng tch cc hm
sng nguyn t tng ng
Slide 44 of 48

General Chemistry:

HUI 2006

1.Phn t Hydro theo Heitler-London

1

Phn t H2 c to thnh t Ha v Hb
v mi nguyn t H c 1 electron 1s.
Electron 1 ca Ha c m t bng a(1)

r1a

r12
r1b

2
r2b

Electron 2 ca Hb c m t bng b(2)

r2a
Nu b qua tng tc ca hai nguyn t,
rab
cc electron chuyn ng c lp i vi a
b
nhau th th hm sng ca c h l tch hai
I = a(1). b(2)
hm sng ring ca hai electron
Thc t hai e c th hon i cho nhau m khng lm thay h do
c hm gn ng khc hon ton tng ng II = a(2). b(1)
T hp tuyn tnh ca hai hm trn l nghim gn ng m t trng
thi ca h 2 e trong phn t
H2 = C1a(1). b(2) + C2a(2).b(1)
Gii pt ny, kt qu c 2 trng hp C1=C2 v C1 = -C2
Slide 45 of 48
General Chemistry:
HUI 2006

s = Cs( a(1). b(2) + a(2).b(1) )

(l hm i xng)
A = CA(a(1). b(2) - a(2).b(1))
(hm phn i xng)
Theo nguyn l Pauli, ng vi hm i xng ng th hm spin
phi phn i xng tc l 2 electron c spn tri du (), cn hm
phn i xng th ng vi hm spin phi i xng, tc l 2
electron c spin cng du ()
Bnh phng hm cho bit mt xc sut tm thy electron:
Kt qu cho thy vi hm i xng c s tng mt electron
khong gia hai ht nhn nguyn t, cn trng hp hm phn i
xng c s gim mt xc sut electron khong gia ht nhn
hai nguyn t
S tnh ton v nng lng cho thy nu hai e c spin tri du th
nng lng ca h gim khi hai nguyn t li gn nhau, cn khi
hai e cng du th nng lng ca h tng ln khi hai e n gn
nhau
Nh vy: Lin kt cng ho tr hnh thnh l do s kt i ca
hai electron c spin tri du. Ta ni y c s xen ph ca hai
orbital nguyn t

Slide 46 of 48

General Chemistry:

HUI 2006

hm sng ca H2 theo
Heitler-London

2
1

z1=z2

Slide 47 of 48

General Chemistry:

HUI 2006

Phn t hidro theo Heitler -London

Slide 48 of 48

General Chemistry:

HUI 2006

Nng lng theo VB ca phn t H2

Slide 49 of 48

General Chemistry:

HUI 2006

2. Ni dung c bn ca thuyt lin kt ho tr

a) Khi nim v lin kt cng ho tr
(VB)

Lin kt cng ho tr hnh thnh do s ghp i ca 2e c spin tri

du v thuc v 2 nguyn t tham gia tng tc. V vy lin kt
cng ho tr c gi l lin kt hai electron-hai tm v phng
php VB c gi l phng php cp electron nh ch
Lk cng ho tr c hnh thnh do xen ph gia 2 orbital nguyn
t ho tr v thuc v 2 nguyn t tng tc
Lin kt cng ho tr cng bn khi mc che ph ca cc orbital
nguyn t cng ln
Ch c xen ph dng mi to thnh lin kt, (du ca hm sng
phi ging nhau) khi tch phn xen ph S = abd>0
Cn nu du hm sng khc nhau th s xen ph m, v c s y
nhau ca cc ht nhn nguyn t, tch phn xen ph S < 0 , khng
dn n s hnh thnh lin kt
Ngoi ra c s xen ph khng, tng ng S = 0, khi s xen ph
khng to thnh lc ht hay lc y gia hai ht nhn nguyn t
Slide 50 of 48

General Chemistry:

HUI 2006

Cc kiu xen ph : s to lin kt ,,

Lin kt sigma ma: Hnh thnh do s xen ph trc, tc
l s xen ph xy ra dc theo trc lin kt gia 2 nguyn
t K hiu
s-s

s-p

p-d

Slide 51 of 48

General Chemistry:

p-p

d-d
HUI 2006

Lin kt sigma

Slide 52 of 48

General Chemistry:

HUI 2006

Lin kt
Lin kt : Hnh thnh
do xen ph bn, K hiu

xen ph bn p + p
Phn t Etylen
Slide 53 of 48

General Chemistry:

HUI 2006

 Xen ph bn p-p to lin kt pi

Slide 54 of 48

General Chemistry:

HUI 2006

Xen ph bn p-d v d-d to lin kt

p-d
Slide 55 of 48

d-d
General Chemistry:

HUI 2006

Lin kt cng ho tr
y

Khi hai AO d nm trong

cc mt phng song song
che ph nhau theo c 4
cnh hoa
Lin kt tng i t
gp

z
x

dx2-y2 - dx2-y2

z
x

Slide 56 of 48

General Chemistry:

x
dxy - dxy

HUI 2006

S xen ph khng ( S=0)

x
+

Slide 57 of 48

General Chemistry:

HUI 2006

S xen ph m

Slide 58 of 48

General Chemistry:

HUI 2006

b) Kh nng to lin kt cng ho tr ca nguyn t

v tnh bo ho ca lin kt cng ho tr
Lin kt cng ho tr c th to thnh bi hai cch: cp e ghp i
l gp chung hoc theo kiu cho- nhn
Theo c ch gp chung: Cng ho tr ca mt nguyn t bng s e
ho tr c thn ca nguyn t ( trng thi kch thch hoc c bn)
Theo c ch cho nhn, th cp electron ghp i ca lin kt cng
ho tr ch do 1 trong 2 nguyn t a ra, cn nguyn t kia nhn
ly cp electron . Cp electron gi l cp electron ho tr t do.
Ni cch khc l do s xen ph ca AO ho tr c 2 electron vi AO
trng ca nguyn t kia
V d
NH3 + H+ NH4+
Trong trng hp chung: Kh nng to thnh lin kt cng ho tr
cc i ca mt nguyn t bng s AO ho tr ca nguyn t
Kh nng to lin kt cng ho tr ca nguyn t hn ch nh vy
nn ngi ta gi l tnh bo ho ca lin kt cng ho tr

Slide 59 of 48

General Chemistry:

HUI 2006

c) Tnh nh hng ca lin kt cng ho tr

Tnh c hng ca lin kt cng ho tr: Lin
z
kt cng ho tr c hnh thnh theo nhng
hng nht nh trong khng gian, phn t to
thnh c hnh dng xc nh
4p
V d: SeH2 gc ho tr HSeH 90o

Tuy nhin c nhiu hp cht nh H2O, NH3, ,

CH4gc ho tr khng bng 900 m chng c gc
ho tr tng ng l 104,50 ; 107,30 v 109,50.
iu ny ch c giit thch da v thuyt lai
ho ca cc orbital nguyn t

Slide 60 of 48

General Chemistry:

1s
1s
4p

HUI 2006

d) Thuyt lai ho cc orbital nguyn t

v cu hnh khng gian ca phn t
Cc nguyn t khi tham gia lin kt khng nhng s dng cc AO
thun khit s, p,dm c th s dng cc AO trn ln trong
nguyn t xen ph vi cc AO ca cc nguyn t khc, to thnh
lin kt cng ho tr
Khi t hp (trn ln) cc AO s, p, d ..to thnh nhng AO lai ho,
th cc AO ny c nng lng, hnh dng, kch thc ging nhau
C bao nhiu AO tham gia vo lai ho th c by nhiu AO lai ho
to thnh v b tr i xng nhau trong khng gian
iu kin cc AO c th lai ho l cc orbital c nng lng gn
nhau
Cc kiu lai ho ph bin l sp3, sp2, sp, sp3d, sp3d2
Slide 61 of 48
General Chemistry:
HUI 2006

Lai ho sp3
V d vi C iu kin lai ha: ch xy ra khi 2 orbital c nng
lng gn ging nhau
energy

2p
2sp3

2s
Trng thi kch thch
Slide 62 of 48

trng thi lai ha

General Chemistry:

HUI 2006

Lai ho sp3
1 orbital 2s + 3 orbitan
2p 4 orbital lai ho
ng nht gi l trng
thi lai ho sp3
ngha l obital ny
(23%) l bn cht s v
(77 %) l bn cht p,
Truc chnh ca 4 orbital
lai ho sp3 phn b
trong khng gian di
cc gc bng nhau
109028 to nn hnh t
din u.
Slide 63 of 48

General Chemistry:

HUI 2006

Cc orbital lai ho sp3

Slide 64 of 48

General Chemistry:

HUI 2006

Lai ho sp2
Lai hoa sp2 c thc hien do s to hp 1 orbital
s vi 2 orbital p tao thanh 3 orbital lai hoa sp 2
phan bo oi xng di goc 1200.
V du 1: Phan t BH3.
Ha
B (Z = 5): 1s1 2s1 2p2
1
1
Ket hp vi 3 ngt H 1s
3

Hc
Hb

Slide 65 of 48

General Chemistry:

HUI 2006

Hnh dng AO sp2

Truc chnh ca 3 orbital lai ho sp2 nm trong mt mt
phng v to vi nhau tng i mt mt gc 1200. Cn
mt orbital khng lai ho ( thun khit) nm thng gc
vi mt phng ca cc orbital lai ho

Slide 66 of 48

General Chemistry:

HUI 2006

Slide 67 of 48

General Chemistry:

HUI 2006

Cc orbital lai ho sp2

Slide 68 of 48

General Chemistry:

HUI 2006

V d
Phn t BF3

Slide 69 of 48

General Chemistry:

HUI 2006

Slide 70 of 48

General Chemistry:

HUI 2006

Phn t etylen

Slide 71 of 48

General Chemistry:

HUI 2006

Lai hoa sp
Lai hoa sp (lai hoa ng
thang): s to hp 1 orbital s vi
1 orbital p (cua cung mot ngt)
cho 2 orbital lai hoa sp phan bo
oi xng co cung truc nam
tren mot ng thang di
goc 1800

Slide 72 of 48

General Chemistry:

HUI 2006

Hnh dng AO lai ha sp

Hai orbital lai ho sp cng nm trn mt trc thng, hai
orbital 2p khng lai ho cn li nm trn hai mt phng
thng gc vi nhau.

Slide 73 of 48

General Chemistry:

HUI 2006

V d v hp cht c nguyn t trung tm lai ho sp

.

V du 1: phan t
s BeH2
Be (Z = 4) 1s2 2s2 2p0
Khi phan ng vi H, Be
b kch thch co cau hnh
1s22s12p1

Luc nay trong nguyen

t Be xy ra s lai hoa
phan t BeH2
gia orbital 2s va 2p e
tao 2 orbital lai hoa sp.
Slide 74 of 48
General Chemistry:
HUI 2006

 V du 2: Phan t BeCl2.

Be (Z = 4): 2s1 2p1

Cla (Z = 17): 3s2 3p5
Clb
3s2 3p5

Slide 75 of 48

General Chemistry:

HUI 2006

Phn t axetylen

Slide 76 of 48

General Chemistry:

HUI 2006

Lai ho sp3d
L s t hp ca cc AO:
s, px, py ,pz v dZ to
thnh 5AO lai ho c
trc hng v 5 nh ca
mt lng chp tam gic
V d phn t PCl5, PF5
2

Slide 77 of 48

General Chemistry:

HUI 2006

Lai ho sp3d2
L s t hp ca 1 AO s,
3 AO p v 2AO d to
thnh 6 AO lai ho sp3d2=
hng v 6 nh ca mt
hnh bt din
Th d SCl6, , SF6 ,SiF6

Slide 78 of 48

General Chemistry:

HUI 2006

D on trng thi lai ho ca nguyn t trung tm

Da vo gc ho tr
- Nu gc ho tr 109028 l lai ho sp3 ,
- Nu khi gc ho tr 1200 l sp2
Da vo tng T ca s lin kt v s cp e t do
nguyn t trung tm ( T= s lk + s cp e t do)
+ T = 2 lai ho sp
+ T = 3 lai ho sp2
+ T = 4 lai ho sp3
+ T = 5 lai ho sp3d
+ T = 6 lai ho sp3d2
Slide 79 of 48

General Chemistry:

HUI 2006

Mi quan h gia lin kt , s cp e ho tr t do v trng thi

lai ho ca nguyn t trung tm

S lin kt bng s nguyn t lin kt vi nguyn t

trung tm
tnh cp e t do ca nguyn t trung tm:
+ Tnh tng s e ho tr X ca cc nguyn t trong phn t
Nu phn t c in tch +a th s e l X-a
Nu thn t c in tch b th s e l X+ b
+ Tnh s e bo ho dnh cho cc nguyn t bin lin kt
vi nguyn t trung tm (Y): tnh i vi H l 2, cc
nguyn t khc l 8
+ S cp e t do = (X-Y): 2
Slide 80 of 48

General Chemistry:

HUI 2006

V d
Ph. t Ng t
ion
tr tm

(X-Y)/2

Lai ho

CO2

4+(6 x2)

8x2

sp

NO2+

5+(6x2)
-1

8x2

sp

NH4+

5+ (1x4)1

2x4

sp3

CO32-

4 +(6x3)
+2

8x3

sp2

SO2

6+ (6x2)

8x2

sp2

H2O

6+1x2

2 x2

sp3

Slide 81 of 48

General Chemistry:

HUI 2006

Hnh dng phn t v gc lin kt

Phn t

Hnh dng

Gc lin kt

AX2

Thng

180o

AX3

Tam gic

120o

AX4

T din

109.5o

AX5

Lc din

90o / 120o

AX6

Bt din

90o

Slide 82 of 48

General Chemistry:

HUI 2006

M hnh s y nhau ca cp electron lp ho tr

(VSEPR) ca Gillespie
Quy tc:
Cc cp electron lp ha tr phi c phn b cch xa nhau nht
c c lc y nh nht gia chng
C s khng tng ng gia cp electron lin kt v khng lin
kt, cp e khng lin kt chim khong khng ln hn
Lc y ca cc cp e gim dn theo th t sau:
Cp e ho tr t do- cp e ho tr t do > Cp e ho tr t do - cp e lin
kt > Cp e lin kt - cp e lin kt

Slide 83 of 48

Hnh dng
electron
General
Chemistry:

Hnh
HUIdng
2006phn t

CH4
CH4: 4 cp e u lin kt v hng v 4 nh ca
t din; gc ho tr l 109028

Slide 84 of 48

General Chemistry:

HUI 2006

NH3
NH3: trong 4 cp e c mt cp t do; lc y ca
n lm cc cp e lin kt xch li gn nhau; gc
ho tr ca H-N-H l 107,30
N
H

lonepairofelectrons
intetrahedralposition
H

Slide 85 of 48

General Chemistry:

HUI 2006

H2O
H2O: lp v e ho tr ca O cha 2 cp ho tr t
do dn n cc lin kt O-H xch li gn nhau
hn, t gc lin kt ca H-O-H l 104,5 0

O
O

H
H

H
H
Slide 86 of 48

General Chemistry:

HUI 2006

So snh gc ho tr ca CH4, NH3 v H2O

Slide 87 of 48

General Chemistry:

HUI 2006

nh hng electron khng lin kt ln gc lk

Gc lin kt H-X-H gim t C n N n O:

H
C
H
H
H
O
109.5
Slide 88 of 48

N
H
H
H
107O
General Chemistry:

H
H
O
104.5
HUI 2006

nh hng ca lin kt bi ln gc lin kt

electron trong lin kt bi y xa hn

vi electron lin kt n.

Cl
o

111.4

Cl
Slide 89 of 48

C O
124.3

General Chemistry:

HUI 2006

S e

Hnh hc e e tham gia lk

Slide 90 of 48

General Chemistry:

e k0 tham
gia lk

Hnh dng
pt

HUI 2006

S e

Hnh hc e

Slide 91 of 48

e tham gia
lk

e ko tham
gia lk

General Chemistry:

Hnh dng
pt

HUI 2006

e) Bac lien ket cua lien ket

cng ho tr

Cac lk cong hoa tr co the la lk n (bac 1), lk oi

(bac 2), lk ba (bac 3) e noi len ac iem nay ta
dung khai niem bac lien ket
Bc ca lin kt c xc nh bi s cp e tham gia lin kt gia 2 nguyn t

. Baclienket Tongsoe thamgia lienket

So
lienket * 2

Lien
ket

Blk

CC
1
C
C 1,5
C=C
2
3
CC
Slide 92 of 48

Lien ket

Blk

Lien
ket

Blk

NN
N=N
N=N

1
2
2,5
3

OO
O
O
O=O
O=O

1
1,5
2
2,5

N N

General Chemistry:

HUI 2006

V d

Phn t N2

x
y

Bc lin kt = (s e tham gia lin kt/2) = (2x3)/ 2 = 3

Phn t CO2

x
y

Bc lin kt = (tng s e tham gia lin kt/ 2x2 lin kt) = 2x4 /4 =2
Slide 93 of 48
General Chemistry:
HUI 2006

 Phn t BCl3
3p
2s
B*

Cl

3s
x x

3p
Cl

2p
*x

3p

3p

3p

sp2

Cl

xx xx x*

3p

B
sp2
2p

Cl
3p
3p

Bc lin kt = 8/2x3 = 1,33

Slide 94 of 48

General Chemistry:

HUI 2006