Chng 3: CU TO PHN T V LIN KT

HO HC
Phn t l phn t nh b nht ca cht, n c to nn t nhng nguyn t cng
loi hoc khc loi. V vy nghin cu cu to phn t thc cht l nghin cu cc mi
lin kt gia cc nguyn t trong phn t.
3.1. Mt s khi nim
3.1.1. Khi nim v phn t
"Phn t l phn t nh nht ca mt cht c kh nng tn ti c lp m vn gi
nguyn tnh cht ca cht ".
Theo quan im hin i th "phn t bao gm mt s gii hn ca ht nhn v cc
electron tng tc vi nhau v c phn b mt cch xc nh trong khng gian to
thnh mt cu trc khng gian bn vng".
Phn t khng ch l cc phn t trung ho nh H 2, Cl2, CO2 m cn bao gm cc
ion phn t nh H2+, NO3-
3.1.2. m in
m in ca mt nguyn t l i lng c trng cho kh nng ca nguyn t
ca nguyn t trong phn t ht cp electron dng chung v pha mnh.
m in ca nguyn t cng ln th kh nng ht cp electron cng mnh, tnh
phi kim ca nguyn t cng mnh.
V d:
Trong phn t HCl: gia hydro v Clo c mt cp electron dng chung, chng b
lch v pha nguyn t Clo v Clo c m in ln hn hydro nn trong phn t HCl th
hydro mang in dng v Clo mang in tch m.
H+

Cl-

Ngi ta xy dng c thang m in ca cc nguyn t trong hydro c

m in bng 2,1 v F c m in cao nht l 4.
Trong thang ny th:
- Trong mt chu k, m in ca cc nguyn t tng t tri sang phi.
- Trong mt nhm m in ca nguyn t gim khi i t trn xung.

 m in ca mt s nguyn t theo Pauling

IA

IIA

IIIA

IVA

VA

VIA

VII
A

VIIIA

H
2,1
Li
1,0

Be
1,6

B
2,0

C
2,6

N
3,0

O
3,4

F
4,0

Na
0,9

Mg
1,3

Al
1,6

Si
2,0

P
2,2

S
2,6

Cl
3,0

K
0,8

Ca
0,9

Ga
1,8

Ge
2,0

As
2,4

Se
2,1

Br
2,7

Sr
0,9

In
1,8

Sn
2,0

Sb
2,4

Te
2,1

I
2,7

Ba
0,8

Tl
2,0

Pb
2,3

Bi
2,0

Po
2,0

At
2,2

5
Rb
0,8

5
Cs
0,7

Ngi ta nhn thy :

- Nu hiu s m in ca 2 nguyn t tham gia lin kt ln (> 2) th m
my electron gn nh b lch v pha nguyn t c m in ln v hnh thnh lin
kt ion.
- Nu 2 nguyn t tham gia lin kt c m in bng nhau th my electron
lin kt c phn b u gia 2 nguyn t tham gia lin kt v to thnh lin kt cng
ho tr.
- Nu 2 nguyn t c m in khc nhau khng nhiu lm (hiu s m
in gia hai nguyn t <2) th hnh thnh lin kt cng ho tr phn cc.
3. 1.3. Mt s c trng ca lin kt
a. Nng lng lin kt
Nng lng ca mt lin kt ho hc l nng lng cn thit ph v lin kt
v thnh nguyn t th kh.
V d: Nng lng ca lin kt (H-H) trong phn t H2 chnh l hiu ng nhit

ca qu trnh.
H2 (k) H (k) + H (k) H = 104,2 kcal/mol
Nng lng lin kt c trng cho bn ca lin kt, nng lng lin kt cng
ln th lin kt cng bn.
b. di lin kt
di lin kt c xc nh bi khong cch gia 2 ht nhn ca hai nguyn
t tham gia lin kt, nu cc nguyn t tham gia lin kt nh nhau, th lin kt cng
bn khi di lin kt cng b.
V d: phn t

F2

di lin kt X - X (A0) 1,42

Cl2

Br2

1,99

2,28

2,68

c. Gc lin kt
Gc lin kt l gc to bi 2 na ng thng xut pht t ht nhn ca mt
nguyn t v i qua ht nhn ca 2 nguyn t khc lin kt trc tip vi nguyn t trn.
V d:
Trong phn t nc, gc lin kt HOH =
104030'. 3.5. Mmen lng cc ca phn t
Trong nguyn t, cc electron bao quanh ht nhn c phn b ton ton i
xng khp mi pha nn trng tm ca cc in tch trng vi tm ca ht nhn (trng
tm ca in tch dng).
Trong phn t, trng tm ca cc in tch m v dng c th trng nhau hoc
khng trng nhau.
- Nu trng tm in tch m v trng tm in tch m trong phn t trng nhau ta
c phn t khng phn cc.
V d: Phn t H2, N2, F2
- Nu trng tm in tch m v dng khng trng nhau th ta c phn t phn
cc. Lc ny phn t c mt mmen lng cc, k hiu l , c n v o l Debye (D).
V d: Phn t H-Cl
+
l
l: di lng cc
: c tnh theo cng thc = .l
Nu = e = 4.8.10-10 vtd CGS v l = 1A0 (108
cm). Th = 4,8.10-18 vt d.cm
Thng thng c gi tr t 0 n 10.10 -18 vtd cm nn ngi ta chn 1.10 -18
vtd.cm lm n v ca , v c gi l Debye. Mmen lng cc ca phn t c
xc nh bng thc nghim, Mmen lng cc ca phn t cng ho tr nm trong
khong 0 - 4D v ca cc phn t ion nm trong khong 4 - 11D.

Mmen lng cc ca mt s phn t:

Phn t:
KCl
KBr
KI
(D):
0,8
8,2
9,2

HCl
1,07

HBr
0,79

HI
0,38

3.2. Lin kt ion

Nh vt l hc ngi c Kossel nhn thy rng trong nhiu hp cht cc nguyn
t c xu hng mt i hay nhn thm mt vi electron c cu hnh bn ca kh him
ngay trc hay sau chng trong bng h thng tun hon. T ng cho rng c mt loi
lin kt ho hc c hnh thnh trong phn t gi l lin kt ion.
3.2.1.nh ngha:
Lin kt ion l lin kt c hnh thnh do lc ht tnh in gia cc ion mang in
tch tri du"
V d:
Na + Cl Na+ + Cl- NaCl
Nhng hp cht to nn bng cch ny gi l hp cht ion.
3.2.2. iu kin to thnh lin kt ion
m in ca 2 nguyn t tham gia lin kt phi khc nhau nhiu (hiu s
m in > 2).
3. 2.3.c im ca lin kt ion
- Lin kt ion khng c tnh nh hng.
- Lin kt ion khng c tnh bo ho.
Do hai tnh cht ny m cc phn t hp cht ion c khuynh hng t kt hp li
mnh m, cc phn t ion ring l ch tn ti nhit cao. Cn nhit thng mi
hp cht ion u tn ti trng thi rn, c cu trc tinh th v ton b tinh th c xem
nh mt phn t khng l.
V d: mui, oxit kim loi, hidroxit kim loi thng l cc hp cht ion.
3.2.4.Ho tr ca nguyn t trong hp cht ion
- Ho tr ca nguyn t trong ion n bng
in tch ion.
V d: Na+, Cl- th Na v Cl u c ho tr 1
- i vi ion a nguyn t: ta khng ni n ho tr ca tng nguyn t m ni
n ho tr ca c ion.
V d: NH4+, SO3-, ClO4- c ho tr 1
SO42-, HPO42- c ho tr 2
3.3. Lin kt cng ho tr
Trong 2 kiu lin kt chnh ca phn t, lin kt ion c gii thch bng thuyt
tnh in ca Kossel cn lin kt cng ho tr l i tng nghin cu ca nhiu nh
khoa hc sut t th k 19 n nay. Trong s cc thuyt ny c th k n 2 quan im
ch yu l quan im ca Lewis v quan im ca c hc lng t.

Theo Lewis khi nguyn t ca 2 nguyn t c m in xp x nhau tham gia

lin kt, chng s chung cc electron lm thnh cp electron dng chung cho c 2 nguyn
t, khi chng cng c c cu hnh bn vng ca kh him, lin kt ny gi l lin
kt cng ho tr - mi cp electron dng chung to thnh mt lin kt.
V d:

H + .H
H

hay H - H

+ Cl H Cl
hay H-Cl
Mi cp electron dng chung c k hiu bng mt vch ngang gi l vch ho
tr.
- Nu m in ca 2 nguyn t to lin kt bng nhau, cp electron dng chung
c phn b u gia 2 nguyn t ta c lin kt cng ho tr khng phn cc (H2, Cl2
).
- Nu m in ca hai nguyn t to lin kt hi khc nhau, cp electron dng
chung s b lch v pha nguyn t c m in ln hn ta c lin kt cng ho tr phn
cc (HCl).
* Ho tr ca mt nguyn t trong lin kt cng ho tr: l s lin kt hnh thnh
gia mt mt nguyn t ca nguyn t vi cc nguyn t khc trong phn t.
V d: Trong CO2
NH3
HCl
Clo v hydr c ho tr 1, xi c ho tr 2, nit c ho tr 3 v cacbon c ho tr 4.
Thuyt Lewis gii thch kh n gin, d hiu v s to thnh lin kt gia cc
nguyn t trong phn t, gii thch c cc trng thi ho tr ca nguyn t trong cc
hp cht. Tuy nhin thuyt ny cng gp mt s hn ch v khng gii thch c t tnh
ca mt s cht.
3.3.1. Quan im ca c hc lng t v lin kt cng ho tr
Hai thuyt gn ng ca c hc lng t c s dng rng ri gii thch bn
cht ca lin kt cng ho tr l thuyt lin kt ho tr vit tt l VB (Valence Bond) v
thuyt orbital phn t vit tt l MO (Molecular orbital).
a.Thuyt lin kt ho tr (VB)
Lin kt , lin kt , lin kt
Thuyt VB dng s xen ph ca cc orbital nguyn t (AO) m t s to thnh
cc lin kt. Tuy theo tnh i xng ca vng xen ph gia cc AO tham gia lin kt i
vi trc lin kt(trc vi tm 2 ht nhn), ngi ta phn bit lin kt xch ma (), lin kt
() v lin kt ().
+ Lin kt : nu s xen ph cc AO xy ra trn trc lin kt th lin kt ny gi l
lin kt khi phn xen ph trong lin kt s nhn trc ni gia 2 ht nhn lm trc
lin kt.

H H (s-s

H Cl (s-p

Cl - Cl (p-p )

+ Lin kt :
Nu gia 2 nguyn t xut hin lin kt i hoc lin kt 3, th cc lin kt
th 2, 3 do cc m my p cn li nh hng theo phng vung gc vi trc ni gia 2
ht nhn nguyn
t, cc m my xen ph 2 bn trc lin kt gi l lin kt .
V d: phn t nit (N2) c mt mi lin kt v 2 mi lin kt .
Vy lin kt c to thnh do s xen ph cc AO ho tr 2 pha trc lin kt.

N
N
N

p-p

p-p

Gia 2 nguyn t lin kt vi nhau trong phn t bao gi cng ch tn ti mt lin kt

v s lin kt c th c l 0, 1, 2.
+ Lin kt :
Lin kt ny t gp, l lin kt sut hin do s xen ph ca cc orbital d.
b. Lun im c bn ca thuyt VB
- Bi ton phn t hydro
Khi p dng c hc lng t gii quyt vn bn cht ca lin kt ho hc,
nm 1927 hai nh bc hc W.Heiler v F. London gii bi ton tnh nng lng lin
kt trong phn t hydr H2.
Kt qu vic gii bi ton ny cho thy:

H (1Sa)

H (1Sb)

2 ( nng lng thp)

Lin kt gia 2 nguyn t hydro c hnh thnh khi 2 electron ca 2 nguyn t

hydro c spin ngc chiu nhau ghp i vi nhau.
Khi nng lng ca phn t hydro thp hn nng lng ca hai nguyn t

hydro c lp v mc nng lng ca hai phn t thp nht khi khong cch gia 2 tm
ca hai nguyn t hydro l 0,74A0.
Khi hnh thnh lin kt mt my electron khu vc khng gian gia hai ht
nhn tng ln ging nh hai m my xen ph ln nhau, do mt in tch m ca
khu vc tng ln, nn ht hai ht nhn li vi nhau v lin kt chng li tc l xut
hin lin kt gia 2 nguyn t hydro to thnh phn t hydro (H2).
T cc kt qu ny rt ra c lun im c bn ca thuyt VB
nh sau: Trong phn t cc electron vn chuyn ng trn cc AO.
Mi lin kt cng ho tr c to thnh do s ghp i 2 electron c thn c
spin tri du ca 2 nguyn t khc nhau tng tc vi nhau, cp electron ny c xem
nh chung cho c 2 nguyn t.
Khi xy ra s xen ph gia 2 m my electron lin kt, s xen ph cng mnh
th lin kt cng bn.
Lin kt c phn b theo phng m ti s xen ph ln nhau gia cc AO
tham gia lin kt l ln nht, v nh vy s c nhng phng c u tin trong khng
gian ph hp vi cu hnh khng gian ca phn t v vy lin kt cng ho tr c tnh
nh hng.
Lin kt cng ho tr c tnh bo ho ngha l mi lin kt ch m bo bi 2
electron v mt nguyn t tham gia lin kt ch c mt s gii hn cc lin kt ho tr.
V d: N kt hp vi H to NH3, khng to ra phn t NH4 , NH5, S lin kt vi H
to H2S khng to ra cc phn t H3S, H4S.
b. Cc thuyt trong khun kh thuyt VB:
Ha tr ca cc nguyn t theo VB. Thuyt spin v ha tr. Ni dung:
Ho tr cng ho tr ca mt nguyn t c xc nh bng s electron c thn
ca nguyn t ca nguyn t trng thi ang xt.
V d: Na (Z = 11) c cu hnh electron: 1s2 2s2 2p6
3s1 c 1 electron c thn phn lp 3s c ho
tr 1.
O (Z = 8) c cu hnh
electron: 1s2 2s2 2p4

phn lp 2p c 3AO cha 4 eletron trong c 2 electron c thn nn oxi c

ho tr 2.
Trong qu trnh phn ng khi c cung cp nng ln ln mt s electron
ghp i c th b kch thch nhy ra cc AO cn trng cc phn mc nng lng
ca n ang tn ti tr thnh c thn lm cho s electron c thn tng ln nn lm
tng ho tr ca nguyn t.

V d: C (Z = 6)
- Trng thi c bn:

1s2 2s2 2p2

Ha tr 2

- Tuy
Trng
thitrong
kch thch:
nhin
iu kin thng ca cc phn ng ho hc thng khng
Ha tr 4
nng lng cho cc electron cc lp bn trong nhy ra cc lp c mc nng lng
cao hn, do s kch thch ch c thc hin gia cc phn lp c mc nng lng
bng nhau (trong cng mt lp).
Nhn xt:
Thuyt ho tr spin gip ta gii thch c ho tr ca nhiu nguyn t. Tuy vy n
cng gp hn ch nhng khng gii thch c s hnh thnh lin kt trong cc ion phn
t v t tnh ca mt s cht, khng gii thch c bn ca cc phn t
* Thuyt lai ho orbital
Khi nim lai ho c Pauling a ra trong khun kh thuyt VB gii thch s
hnh thnh lin kt trong phn t CH4, BeF2 v cc hp cht tng t.
Theo Pauling khi tham gia lin kt cc AO ho tr ca cc nguyn t khng tham
gia ng thi bng cch trn ln vi nhau trc khi i vo lin kt. Hay ni cch khc l
cc AO t hp vi nhau thnh cc t hp tt nht to lin kt bn nht. Cc t hp
l cc hm sng tng ng nhau, c nng lng v hnh dng ging nhau v c nh
hng r rt trong khng gian.
Vy "S lai ho orbital l s t hp cc AO nguyn t trong mt nguyn t to
thnh cc AO lai ho ging nhau v nng lng, hnh dng v nh hng r rt trong
khng gian".
iu kin cc AO lai ho bn l:
- Nng lng ca cc AO tham gia lai ho phi xp x nhau
- Nng lng ca cc AO tham gia lai ho thp
- xen ph cc AO lai ho vi cc AO ca cc nguyn t khc tham gia lin kt
phi ln. Cc kiu lai ho gia cc AO ns v np

Lai ho sp: l s t hp gia mt AOs v mt AOp thuc cng mt lp nguyn t, to

thnh 2 orbital lai ho c nng lng tng ng v hnh dng ging nhau, trc i
xng ca 2 AO lai ho ny to vi nhau mt gc 1800.
Trng hp lai ho ny thng xy ra trong nguyn t khi to thnh cc hp cht
c dng ng thng nh BeF2, BeH2, BeCl2, CO2, C2H2
V d:
Xt s to thnh lin kt trong phn t
BeF2 Be (Z = 4): 1s2 2s2
Trng thi c bn

sp

sp

Trng thi kch thch

Hai AO lai ho sp to thnh ca Be s xen ph vi 2 AO ho tr ca 2 nguyn t F

(2py) to thnh 2 lin kt Be - F vi gc lin kt FBeF = 1800.
F:

Be
2py

2py
sp

(F)

sp
(F)

- Lai ho sp2 (Lai ho tam gic):

L s lai ho gia mt AO s vi 2 AO p to ra 3AO lai ho sp 2 nm trong
cng mt mt phng, trc i xng ca chng to vi nhau mt gc l 120 0 hng
v 3 nh ca mt tam gic u.
Lai ho sp2 c dng gii thch cu trc hnh hc ca cc phn t BH3, BF3,
BCl3, SO2, SO3 v gii thch lin kt i ca cc nguyn t C trong cc hp cht hu c.

V d:

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32
Xt s to thnh lin kt trong phn t C2H4
C (Z = 6)
Trng thi c bn

Trng thi kch thch

Mi nguyn t C thc hin lai ho sp 2 to 3 AO lai ho sp2. Gia 2 nguyn t C lin

kt vi nhau bng s xen ph ca 2 AO lai ho sp 2 to ra lin kt C-C, sau mt AO
sp2 ca mi
nguyn t C s to 2 lin kt C-H vi cc AO 1s ca 2 nguyn t hydro dc theo trc
lin kt to ra b khung ca phn t. mi nguyn t C cn li 1 orbital p cha lai ho
(c cha 1 electron c
thn). V vy to c mt lin kt vi nhau theo phng vung gc vi trc lin kt
c gc ho tr l 1200.
(sp2s)

p-p)

(sp2-s)
H
hay l

C C

(sp2-sp2)
H

(sp -s)
2

(sp2-s)

- Lai ho sp3 (lai ho t din)

l s lai ho gia mt AO s v 3 AO p to ra 4 AO lai ho sp 3 hon ton ging
nhau to thnh phn t c cu trc t din hoc gn t din nh CH4, CCl4, SiCl4, H2O,
NH3 vi gc ho tr l 109028' hoc gn vi gc .
sp3

sp3
sp3

sp3

s + 3AOp
V d:
xt s to thnh lin kt trong phn t CH4
C (Z = 6)
Trng thi c bn

(sp3
s)

H
H

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33

Trng thi kch thch

Trong phn t CH4, nguyn t C lin kt vi 4 nguyn t H bng s xen ph gia 4

AO lai
ho sp3 ca C vi cc AO 1s ca hydr to ra cc lin kt (C-H), phn t CH4 c dng
t din u vi tm l C v 4 nguyn t H 4 nh, gc lin kt H-C-H = 109 028'.
2.2. Thuyt orbital phn t (MO)
Thuyt MO c xy dng hi mun hn thuyt VB bi cc nh bc hc
Mucliken, Hund, Cenard - Jones.
2.2.1. Lun im c bn ca thuyt MO
- Trong phn t cc electron chuyn ng trn cc hm sng chung ca phn t
gi l cc
MO.
- Cc MO c thnh lp t s t hp cc AO ca hai nguyn t trong phn t:
MO = n
C i i
i 1
Vi
i: cc AO nguyn t
Ci: l hng s ni ln s ng gp ca hm i vo MO
- Cc AO tham gia t hp phi ph hp nhau v mt tnh i xng v c mc nng
lng xp x nhau, khi tham gia t hp chng phi xen ph nhau r rt.
- S MO thu c bng s AO tham gia t hp cc MO thu c sp xp theo th
t tng dn mc nng lng.
- T ta xy dng c gin mc nng lng v vit c cu hnh electron
ca
phn t.
Nh vy theo thuyt ny, bi ton phn t qui v vic xc nh cc MO v cc
mc nng lng tng ng ca chng.
2.2.2. Bi ton ion phn t H2+
Ion phn t H2+ l i tng nghin cu c bn v n gin nht ca thuyt MO.
V hai nguyn t trong phn t ging nhau nn cc AO ho tr ca chng u
ging nhau, ngha l chng c cng tnh cht i xng. Trong trng hp ny s t hp n
AO s cho ra n/2 MO lin kt c nng lng thp hn, v n/2 MO phn lin kt c nng
lng cao hn ny lng ca cc AO nguyn t trong t hp.

V d: H + H+ = H2+ 1sA 1sB

MO = C11sA + C21sB
Gii phng trnh Schrodinger i vi hm ny ngi ta tm c hai nghim l:
1
+ MO

( 1sA 1sB ) l MO phn lin kt s ng vi nng lng cao hn (c mt

2
electron khong gia 2 ht nhn nh).

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34
1
+ MO

( 1sA 1sB ) l MO lin kt s ng vi nng lng thp hn khi trng

thi

2
nguyn t (c s tp trung mt e khong gia 2 ht nhn cao).
S t hp cc AO to thnh cc MO thng c biu din ln gin gi l gin
nng lng cc MO.
s l MO lin kt, s* l MO phn lin kt, ch ngha l lin kt H - H + l
lin kt , ch s ngha l lin kt c to thnh t cc AOs. Ta c gin mc nng
lng theo thuyt MO ca ion phn t H2+ nh sau:
E

1SA

1SB

s
H

H+2

H+

Ta thy trn gin khi to thnh phn t H 2+ nng lng ca h c gim hn

nng lng ca cc nguyn t v ion ring l ngha l h H2+ bn hn h H v H+ ring
l.
T ta c th vit c cu hnh ca H2+ l
s1. Bc lin kt theo phng php MO:
Theo phng php ny bc lin kt i vi phn t 2 nguyn t c tnh theo
cng thc:
N = (n n*)
2
Vi

n: tng s cc electron trn cc MO lin kt

n* : tng s cc electron trn cc MO phn lin kt
Nu N = 0 th lin kt khng tn ti ngha l khng c phn
ng . V d: He2 cho He (Z = 2):
Phn t He2 c 4e-

(2 2) 0 2
Do khng tn ti phn t He (nn cc phn t kh him l phn t n nguyn
t).

- Trong phn t O2 c bc lin kt l N = 8 4 2 (ph hp vi thc nghim)

2
+
- Trong ion phn t H2
N=

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35
N = 1 0 1 (phn t H2+ c tn ti)
2
2
Bc lin kt cng ln th lin kt cng bn
2.2.3. Thuyt MO v phn t hai nguyn t thuc chu k 2 (phn t hai nguyn t
ng hch dng A2). i vi nguyn t chu k 2, c cc AO ho tr l ns v np.
- Lp cc MO:
Cc MO c xy dng bng s t hp cc AO ho tr, cc MO c chia thnh
dng v tu theo tnh i xng ca chng.
Ta ch cn xt cc AO ho tr 2s, 2px, 2py v mi AO u c s nh hng r rt
trong khng gian, nn ta chn mt h to thng nht cho cc phn t loi A2 vi trc z
trng vi trc ca phn t.
x

(a)
y

(b)

T hp 2 AO 2s ca 2 nguyn t to 2 MO s v s*.
T hp 2AO 2pz to 2 MO z v z* (c i xng trc trng vi trc
ca phn t). T hp 2AO 2px v 2px' to cc MO x v x*.
T hp 2AO 2py v 2p'y to cc MO y v y*
(c trc i xng song song vi nhau v vung gc vi trc ni gia 2 ht nhn).
Cc MO x v y, x* v y* tng i mt ch khc nhau v hng trong
khng gian nn tng i mt chng c cng mc nng lng (x = y v x* =
y*).
- Gin cc MO:
T 8 AO (2s', 2px', 2py', 2pz') v (2s, 2px, 2py, 2pz) ca 2 nguyn t ngi ta
xy dng c 8 MO gm 4MO lin kt v 4MO phn lin kt. Ta c 2 gin .
Gin 1:
Th t mc nng lng ca phn t A2 cc nguyn t cui chu k 2 (O2, F2,

Ne2) nh sau: s < s* < z < (x = y) < (x* = y*) < z* tng
ng vi gin 1:

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36
Gin 1:
A

A2

E
x

2p

x y

z
s*
2s

Gin 2:

2p

H
2s

i vi cc nguyn t u chu k (t Li n N) do s chnh lch nng lng ca

cc AO 2s v 2p khng ln lm nn c s xen ph gia AO 2s v 2pz lm cho MO z
v z* tr nn km bn
hn do nng lng ca z ln hn nng lng ca MO x, y: do th t mc
nng lng ca cc phn t A2 ca nguyn t ny nh sau:
s < s* < (x = y) < z < (x* = y*) < z*

T ta c gin 2 ca cc phn t ny

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37
Gin 2
A

A2

A
z
*

E
x

2p

2p
z
x

y
H
s*
2s

2s

*Tnh cht t ca phn t

V mt t tnh ngi ta phn bit cht thun t v cht nghch t.
- Nhng cht c cha electron c thn trong phn t thng b t thng ht gi
l cc cht thun t.
- Nhng cht m trong phn t tt c cc electron ghp i b t trng y gi
l cht nghch t.
T cu hnh electron ca phn t ta c th d on tnh cht t ca
chng. p dng thuyt MO cho cc phn t A2 thuc chu k 2.
V d 1:
Phn t Li2: (vi Li (Z = 3)
Li: 1s22s1 2 nguyn t Li c 6e- 2e- phn
lp 2s. Cu hnh phn t Li2: s2
N=2012

Khng c electron c thn nn phn t

nghch t. V d 2:
O2 cho O (Z = 8)
Mi nguyn t O c 6e lp th 2, 2 nguyn t c 12e- sp xp vo cc mc nng
lng nh sau:

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38
s2 s*2 z (2x = 2y)(x*1 y*1)
N=8422
Phn t c 2e- c thn nn c tnh
thun t V d 3:
Phn t Ne2 cho Ne (Z =10)
Mi nguyn t Ne c 10 electron, 2 nguyn t Ne c 20 electron, vy c 16
electron sp xp nh sau:
s2 s*2 z (2x = 2y)(x*2 y*2)
N=8802
V vy phn t Ne2 khng tn ti
3. Lin kt phi tr
L lin kt cng ho tr m cp electron dng chung ch do mt nguyn t a ra,
nguyn t ny gi l nguyn t cho. y c s chuyn cp electron t do ca nguyn t
cho v orbital trng ca nguyn t nhn. Lin kt phi tr c k hiu bng mt mi tn
hng t nguyn t cho sang nguyn t nhn.
V d: H3N + H+ = [H3N
H]+ 1s
hay [H3N H]+ hay NH4+
Trong thc t, khng th phn bit lin kt phi tr v lin kt cng ho tr thng
thng. V d: trong NH4+, bn lin kt ca N vi H hon ton ging nhau v di lin
kt v nng lng lin kt. Lin kt phi tr thng gp trong cc phc cht.
IV. Tng tc gia cc phn t
Ngoi cc lin kt chnh xt nh lin kt ion, lin kt cng ho tr cn c cc
tng tc gia cc phn t nh lin kt hydr, lc Vanderwaals.
1. Lin kt hydro
Nguyn t hydro ngoi kh nng tham gia lin kt cng ho tr thng thng, cn
c kh nng to mt mi lin kt th hai vi mt nguyn t khc c m in ln v
kch thc nh. Mi lie kt th hai ny km bn hn nhiu so vi lin kt cng ho tr
thng thng v c gi l lin kt hydro, k hiu bng du ba chm ()
V d:
- Lin kt hydro lin phn t
F
H
F

F
H

R
H

H
O

F
Ru v nc H
(HF)n

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39
Trong phn t HF, nguyn t H sau khi lin kt vi nguyn t F bng mt lin kt
cng ho tr cn hnh thnh mi lin kt th hai (lin kt hydr) vi nguyn t F ca phn
t HF khc to nn phn t lin hp (HF)n.
- Lin kt hydro ni phn t
H
O
N
C

O
O H
ortho nitrophenol

O H
andehyt salicilic

* Nguyn nhn xut hin lin kt hydro

Do c im cu to nguyn t ca hydro l ch c mt electron duy nht nn khi
nguyn t hydro lin kt cng ho tr vi mt nguyn t ca nguyn t c m in ln
th my electron ca hydro b ht lch mnh v pha nguyn t v lm nguyn t
hydro b bin thnh ht tch in dng mc khc cn do kch thc ca hydro rt nh
nn ion hydro d dng tin gn n cc nguyn t hay ion khc, thm ch thm nhp vo
lp v electron ca cc nguyn t hay ion khc hnh thnh nn mi lin kt hydro.
Nng lng ca lin kt hydro rt b (khong 2 - 10 kcal/mol) nn lin kt hydro
km bn hn lin kt ho hc thng thng (khong hng trm kcal/mol).
* nh hng ca lin kt hydro n tnh cht ca cc cht
- Lm tng nhit nng chy, nhit si ca cc cht do lin kt hydro to nn
lc ht gia cc phn t, gy nn s trng hp phn t lm phn t lng trung bnh ca
cc cht tng nn nhit nng chy v nhit d si ca cc cht tng.
V d:
Cht
HF

M
20

T0nc (0C)
-83

T0s (0C)
19,5

HCl

36,5

-112

-84,9

Lm gim in li, gim tnh axit ca cc

cht. V d:
Trong dy HX cc axit HCl, HBr, HI l cc axit mnh nhng do trong cc phn t
HF c lin kt hydro lin phn t nn HF l cht in li yu v c tnh axit trung bnh.
- Lm tng tan ca cc cht: lin kt hydro gia cc phn t cht tan v dung
mi lm tan ca cc cht tng do d hnh thnh solvat.

V d: Gia ru v nc c lin kt hydro nn ru tan v hn trong nc, trong

khi te (ROR) khng tan trong nc do gia te v nc khng c lin kt hidro. S hnh
thnh lin kt hydro lin phn t cho php gii thch tnh d ho tan ca cc hp cht c
nhm phn cc trong nhng dung mi phn cc nh nc, ru
Ngoi ra lin kt hydro lin phn t cn lm gim tnh baz ca cc cht v gy
nn s bin i bt thng v khi lng ring.

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* Lin kt hydro mi phn t lm thu gn cc phn t li ng thi lm gim kh
nng to lin kt hydro gia cht vi dung mi do lm gim nhit nng chy, nhit
si v tan ca cc cht, lin kt ny cn lm gim tnh axit ca cc cht.
2. Lc Vanderwaals
L lc tng tc gia cc phn t, n c bn cht tnh in. Lc Vanderwaals cng
ln th mmen lng cc ca phn t, kch thc v khi lng ca phn t cng ln.
Lc vanderwaals b hn vi nng lng ca lin kt ion v lin kt cng ho tr nn n
ch c nh hng ch yu n mt s tnh cht l hc ca cc cht.
V d: Theo dy F 2, Cl2, Br2, I2 th kch thc v khi lng tng t u n
cui dy nn lc vaderwaals tng dn do nhit si v nhit nng chy ca cc
cht ny tng dn.
Lc Vardenwaals bao gm cc thnh phn sau:
* Lc nh hng: khi cc phn t phn cc gn nhau chng tng tc vi nhau
bng lc tnh in lm cho cc phn t xoay hng sp xp mt cch c trt t nhm
lm gim nng lng ca h.

* Lc cm ng: cc phn t phn cc tng tc vi cc phn t khng phn cc

lm xut hin lng cc gia chng.

* Lc khuych tn: cc phn t khng phn cc gn nhau do chuyn ng ca

cc electron lm cho mt electron lun lun bin i nn lm dch chuyn trng tm
in tch dng v m nn lm xut hin cc lng cc tm thi v chng ht nhau bng
lc ht tnh in.

Lc Vanderwaals gm E = E1 + E2 + E3

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Lc Vanderwaals tuy nh nhng cng lm cho cc phn t ny buc nhau nn
thng nh hng n tnh cht vt l ca cc cht nh nhau, nhit nng chy, nhit
si

V. S lc v trng thi tp hp ca cc cht

Cc cht tn ti ba trng thi: rn, lng, kh
1. Trng thi kh
c trng bi khong cch gia cc phn t ln, cc phn t xa nhau, chng
chuyn ng t do hn lon theo mi phng v c th nn chng a cc phn t
ny li gn nhau. V vy cc cht kh c th dn n v cng c th b nn nn chng gy
ra p sut ln bnh vt cha. Trng thi v tnh cht vt l ca cc cht kh tun theo cc
nh lut ring v cht kh.
2. Trng thi lng
c trng bi khong cch gia cc phn t nh hn, cc phn t c th chuyn
ng t do nhng khng th nn p c hc gim th tch ca chng. Trng thi lng
linh ng, khng c hnh dng ring, di tc dng ca nhit, cc phn t cht lng c
th ri khi trng thi lng v chuyn thnh hi (gi l s bay hi). Ngc li cng bng
tc dng c th c nh cc phn t v chuyn cht lng thnh trng thi rn.
3. Trng thi rn
Ngay iu kin thng nhiu cht tn ti trng thi rn. c trng ca trng
thi ny l cc phn t gn nhau n mc khng th chuyn ng t do, chng ch dao
ng quanh mt v tr cn bng no v vy cht rn c kh nng gi c hnh dng
ca n. V mt cu trc cht rn gm 2 dng l cht rn tinh th v cht rn v nh hnh.
* Cht rn tinh th: trong tinh th cc ht (nguyn t, phn t, ion, nhm nguyn
t ) c sp xp theo mt trt t hon ton xc nh, chng hu nh khng chuyn
dch tnh tin m ch dao ng chung quanh v tr cn bng. Cht rn tinh th c nhit
nng chy xc nh.
* Cht rn v nh hnh: l cht rn m phn t sp xp hn n gn vi trng thi
lng, tuy vy n cng khc vi trng thi lng l ht ca cht v nh hnh khng c
chuyn ng tnh tin v chuyn ng quay.
Cht v nh hinh khng c nhit nng chy xc nh khi b un nng n mm
ra, nho dn ri ho lng, di tc dng ca cc lc bn ngoi cht v nh hnh c th b
bin dng.
V d: Cc cht rn v nh hnh nh thu tinh, cao su