cac nguyn tu khi tuong tac voi nhau co th khng dung nhung orbital nguyn tu thun tuy

s, p, d, I,..ma dung nhung orbital nguyn tu ' trn ln moi duoc hinh thanh trong ni b
nguyn tu cua minh d che phu voi cac orbital nguyn tu khac .Cac orbital trn ln nay
duoc hinh thanh do su trn ln voi nhau cua cac orbital nguyn tu trong mt nguyn tu hay
co th noi do su tu che phu nhau giua cac orbital nguyn tu trong mt phn tu .Hin tuong
nay goi la su lai hoa orbital .
Su lai hoa dua dn kt qua lam thay di hn hinh dang va nng luong cua cac orbital
nguyn tu tham gia lai hoa va tao thanh cac orbital nguyn tu lai hoa co hinh dang va nng
luong hoan toan ging nhau, dc bit rt di xung voi nhau trong khng gian.
Co bao nhiu orbital nguyn tu tham gia lai hoa s co by nhiu orbital lai hoa duoc tao
thanh .
Tuy thuc vao loai va s luong orbital nguyn tu ma chung ta co cac kiu lai hoa nhu :
sp, sp
2
, sp
3
,sp
3
d, sp
3
d
2
,sp
3
d
2
I,...|1|
J phuong din ton hc, orbital lai hoa duoc xac dinh bng ham song lai hoa 1
lh,
ham
song nay bng tng cac ham song ( voi h s thich hop) cua cac orbital nguyn tu tham
gia lai hoa.
Ji du : cac ham song cua orbital lai hoa sp
3
co dang :

3
x v z
s p p p
sp
a b c d

Cac h s a,b,c,d duoc xac dinh dua vao cac diu kin chun hoa va cac yu cu di voi
ham song .Chung co th co gia tri duong hay m.
Su lai hoa din ra duoc la do thun loi v mt nng luong .Nhin vao hinh sau ta thy
duoc orbital lai hoa co mt d electron dn v mt phia , diu nay lam cho orbital lai hoa
tham gia tuong tac voi su che phu manh hon va do do lin kt duoc tao thanh s bn hon so
voi cac orbital nguyn tu thun tuy. Mt khac do su phn b cac orbital lai hoa rt di xung
nn cac lin kt tao thanh voi su tham gia cua chung trong toan b phn tu s bn hon.|1|
liu kin xav ra lai ha
- Mun cho su lai hoa xay ra thi cac orbital nguyn tu tham gia lai hoa phai co muc nng
luong gn bng nhau.Muc nng luong cang xa nhau su lai hoa cang kem bn .
- Diu kin thu hai d su lai hoa xay ra la mt d electron phai lon. Co th thy nu trong
cung mt chu ky khi di tu trai sang phai thi mt d eclectron tng dn con nguoc lai nu
trong mt nhom khi di tu trn xung thi mt d eclectron tng dn va kha nng lai hoa
cng tng va giam xung.
- Trang thai lai hoa cang bn khi muc d che phu cua cac orbital nguyn tu cang lon.
- Nu cac diu kin trn khng duoc thoa mn thi su lai hoa khng th xay ra hoc xay ra
khng hoan toan.|3|
2.3.Mt s kiu lai ha
2.3.1.Lai ha sp
Duoc tao thanh do su t hop mt orbital s voi mt orbital p ( cua cung mt nguyn tu)
cho ra hai orbital lai hoa sp phn b di xung voi hai truc nm trn cung mt cung duong
thng.

Ham song tuong ung voi trang thai electron thuc hai hai orbital lai hoa nay la
|1|

1
( )
2
a v
sp s p
|2|
1
( )
2
b v
sp s p
|2|
Ji du : phn tu BeH
2
co goc hoa tri xac dinh bng thuc nghim H Be H bng
180
o
kt qua nay phu hop voi thuc nghim.Cu tao phn tu BeH
2
co th giai thich nhu sau
: khi phan ung voi H nguyn tu Be bi kich thich nn cu hinh eclectron lop ngoai cung tro
thanh 2s
2
2p
1
.Nhung khng phai Be dung truc tip hai orbital hoa tri 1 d lin kt voi cac
orbital hoa tri cua H. Trong truong hop nay, truoc khi tham gia tao lin kt , trong ni b
nguyn tu Be d xay ra su lai hoa sp giua cac orbital 2s va 2p


Hai eclectron hoa tri cua nguyn tu Be s phn b trn cac orbital lai hoa sp tao thanh.
Sau do chinh cac orbital lai hoa sp chua mt eclectron nay moi che phu hai orbital hoa tri
1s cua nguyn tu H d tao thanh hai lin kt Be H

Do cac lin kt Be H phn b duoi cac goc 180
o
nn phn tu BeH
2
phai co dang
duong thng va HBeH 180
o
|1|
2.3.2.Lai ha sp
2
( lai ha tam gic )
Duoc tao thanh do su t hop mt orbital 1s va hai orbital 2p ( cua cung mt nguyn tu
). Kt qua tao thanh ba orbital lai hoa sp
2
phn b di xung duoi goc 120
o
.Do do lin kt
tao thanh voi su tham gia cua cac orbital lai hoa sp
2
cng s phn b duoi goc nhu vy.
|1|

Trang thai ba eclectron thuc ba orbital lai hoa nay ung voi ba ham song :

2
1
( 2 )
3
x
s p
sp a


2
1 3
( 2 )
2 3
x v
s p p
sp b



2
1 1 3
( )
2 3 2
x v
s p p
sp c

|2|
Ji du : Xet phn tu BCl
3
co dang tam giac du voi goc hoa tri ClBCl 120
o

Nguyn tu B bi kich thich co cu hinh electron lop ngoai cung 2s
1
2p
2
va khi tham gia
tao lin kt voi cac nguyn tu Cl no o trang thai lai hoa sp
2
, tuong ung voi su tu che phu
ln nhau giua orbital 2s va orbital 2p ,vi du 2p
x
va 2p
y
cua nguyn tu B


Cac orbital lai hoa sp
2
nay du chua mt electron hoa tri va tham gia che phu voi 3
orbital hoa tri 1 electron 3p
x
cua cac nguyn tu Cl tao thanh ba lin kt B Cl




Qua thuc nghim ta cng chung minh duoc phn tu BCl
3
co cu hinh khng gian va
goc hoa tri nhu d trinh bay.
Tuy nhin, cn luu y rng lin kt B Cl khng phai la lin kt don. Lin kt nay co bc
lon hon mt do co su che phu b sung giua orbital hoa tri tu do cua B va orbital chua cp
electron hoa tri tu do cua Cl .Do do chung tao nn lin kt a giua B va Cl , nhung lin kt a
nay khng nm co dinh ma thay di lin tuc giua ba lin kt B Cl.|1|
2.3.3.Lai ha sp
3

Duoc tao thanh khi t hop 1 orbital s va 3 orbital p ( cua cung mt nguyn tu ) .Kt qua
tao thanh 4 orbital lai hoa sp
3
phn b di xung nhau trong khng gian theo huong dn 4
dinh cua mt tu din du va duoi nhung goc 109
o
28`
|1|
Ham song tuonng ung voi cac trang thai lai hoa orbital nhu sau :

3
1
( )
2
x v z
a
s p p p
sp



3
1
( )
2
x v z
b
s p p p
sp



3
1
( )
2
x v z
c
s p p p
sp



3
1
( )
2
x v z
d
s p p p
sp

|2|
Ji du :Phn tu CH
4
co dang lai hoa sp3 .Voi cu hinh electron lop ngoai cung o trang
thai kich ls
2
2s
1
2p
3
nguyntu C co kha nng tao bn lin kt hoa tri nhung khng phai bng
4 orbital hoa tri 1 electron 2s, 2p
x
, 2p
y
, 2p
z
ma bng 4 orbital lai hoa sp3chua mt
electrron, duoc tao thanh do su trn ln cua cac orbital nguyn tu 2s, 2p
x
, 2p
y
, 2p
z



Cac orbital lai hoa sp
3
chua mt electron hoa tri nay che phu voi 4 orbital hoa tri 1s cua
cac nguyn tu H tao thanh 4 lin kt C H


Do nguyn tu C trung tm o trang thai lai hoa sp
3
nn 4 lin kt C H tao nn nhung
goc hoa tri 109
o
28` va phn tu CH
4
co cu hinh tu din du.
Ngoai nhung kiu lai hoa quan trong vua nu trn con co nhung kiu lai hoa phuc tap
hon.|1|
2.3.4.Lai ha sp
3
d
Cac orbital s,px,py,pz dz
2
lai hoa cho 5 orbital lai hoa truc huong v nm dinh cua mt
lung chop tam giac . Vi du nhu phn tu PCl5 ....
|1|
2.3.5.Lai ha sp
3
d
2

Cac orbital s,px,py,pz,dx
2
-y
2
,dz
2
t hop cho 6 orbital lai hoa truc huong v 6 dinh cua
mt hinh tam mt.Ji du: phn tu SCl
6

|1|
2.4 .Du don trang thi lai ha cua nguyn tu trung tm :
Dua vao goc hoa tri hoc cu hinh khng gian cua phn tu co th du doan trang thai lai
hoa cua nguyn tu trung tm. Ji du: phn tu AB
3
co cac dc dim goc hoa tri
BAB 109
o
28`,co dang thap tam giac, co th noi rng nguyn tu trung tm co lai hoa sp
3

Tng quat hon ta co th du doan trang thai lai hoa cua nguyn tu trung tm theo nguyn
tc chung dua vao tng T
T s lin kt (lin kt chinh ) giua nguyn tu trung tm va cac nguyn tu bin va s
cp electron hoa tri tu do o nguyn tu trung tm.Nu :
T 2 : nguyn tu trung tm co lai hoa sp
T 3 : nguyn tu trung tm co lai hoa sp
2

T 4 : nguyn tu trung tm co lai hoa sp
3

Xet bang sau :
S lin kt o
S cp e hoa tri
tu do
Tng s T Kiu lai hoa Vi du
2 0 2 sp
2 2 2
, , CO BO NO


3 0 3
sp
2

2
3 3 3
, , BF SO CO


2 1 3
2 3 2
, , SO O NO

4 0 4
sp
3

2
4 4 4
, , CCl NH SO


3 1 4
2
3 3 3
, , NH AsF SO


2 2 4
2 2
, , H O HOF ClO

5 0 5
sp
3
d
5 5
, AsF PCl
4 1 5
4 4
, SF TeCl
3 2 5
3 2
, ClF XeOF
2 3 5
2 2
,| | XeF IBr


6 0 6
sp
3
d
2

6 6
,| | SF AsF


5 1 6
2
5 5
,| | BrF SbF


4 2 6
4 4
,| | XeF ICl



Tu bang s liu ta thy, d du doan trang thai lai hoa cn phai xac dinh s lin kt va
s cp electron hoa tri tu do co th co o nguyn tu trung tm.Vic xac dinh s lin kt
khng co gi kho khn : co bao nhiu nguyn tu lin kt voi nguyn tu trung tm co by
nhiu lin kt .D xac dinh s cp electron hoa tri tu do co th dung phuong phap don
gian sau :

Tinh tng s electron hoa tri cua cac nguyn tu trong phn tu(X)
Tinh s electron hoa tri bo hoa danh cho cac nguyn tu bin lin kt voi nguyn tu trung
tm(Y) ( 8 electron cho mi nguyn tu bin chung va 2 electron cho mi nguyn tu bin la
hydro)
Tinh hiu s giua tng s electron hoa tri cua phn tu va s electron hoa tri danh cho cac
nguyn tu bin ( X Y ) : hiu s nay chinh la s electron hoa tri tu do cua nguyn tu trung
tm.|1|
Ji du : xet bang sau :
Phn tu ion
Nguyn tu
trung tm
X Y
S cp e tu do
(X Y )/2
Ts lk
cp e tu do
Lai hoa
2
CO
C 4(6x2) 8x2 0 202 sp
2
NO

N 5(6x2)-1 8x2 0 202 sp

4
NH

N 5(1x4)-1 2x4 0 404 sp

3

2
3
CO

C 4(6x3)2 8x3 0 303 sp
2

2
SO
S 6(6x2) 8x2 1 213 sp
2

2
H O
O 61x2 2x2 2 224 sp
3

|3|
Ji du 1 : phn tu
2
BeH :

Hai electron hoa tri cua Be s tham gia tao ra 2 lin kt voi hai orbital 1s cua hai nguyn
tu H nn T 2, do do Be co trang thai lai hoa sp
Ji du 2 : phn tu
3
BF

Ba electron hoa tri cua B s tham gia tao ra ba lin kt voi ba nguyn tu F nn T3, do
do B o trang thai lai hoa sp
2.


Ji du 3 : phn tu
4
CH

C tao lin kt voi bn H nn T4 vi vy C co lai hoa sp
3

Ji du 4 :phn tu
3
NH

N tao ba lin kt voi ba H con mt di electron khng tham gia tao thanh lin kt nn
T34 do do N co lai hoa sp
3
.|3|
2.5. Du don cu hnh khng gian cua phn tu
Theo thuyt lai hoa thi ung voi mt kiu lai hoa thi s co mt cu hinh khng gian va goc
lai hoa nht dinh. Chng han, sp 180
o
, sp
2
120
o
, sp
3
109
o
28` .Tuy nhin trong thuc t
khng phai bao gio cac phn tu cac phn tu cng du co goc hoa tri nhu trn, trai lai thuc t
cho thy di voi nhiu hop cht goc hoa tri dc trung cho chung lai co gia tri sai lch it
nhiu.Vi du : phn tu H
2
O co goc hoa tri la 104
o
5`, phn tu NH
3
co goc hhoa tri la 107
o
3`
,nghia la gn voi gia tri 109
o
28`.Phn tu ClO
2-
co goc hoa tri la 118
o
gn voi gia tri
120
o
....|1|
Su sai lch trn v goc hoa tri d duoc giai thich bng thuyt dy nhau giua cac cp
electron hoa tri cua Gillespie R.J
Ni dung cua thuyt dy duoc nu nhu sau :
Lop hoa tri : la lop electron ngoai cung cua mt nguyn tu co cac electron tham gia tao
lin kt.
Cac cp electron lop hoa tri phai duoc phn b cach xa nhau nht d co duoc luc dy nho
nht giua chung do do cac phn tu s bn.
Co su khng tuong duong giua cp electron lin kt voi cp electron khng lin kt.Cp
electron lin kt chiu luc hut cua ca hai hat nhn nguyn tu tao ra lin kt,trong khi do cp
electron khng lin kt chi chiu luc hut cua mt hat nhn nguyn tu.Kt qua la cp electron
khng lin chim mt khoang khng gian rng hon so voi cp electron lin kt.


D manh cua luc dy giam dn theo thu tu
Cp electron hoa tr t do - cp electron hoa tr t do ~ Cp electron hoa tr t do cp
electron lin kt ~ cp electron lin kt - cp electron lin kt .|2|
Di voi cac phn tu phn tu loai AB
n
khng co chua cp electron hoa tri tu do thi phn tu
co cu hinh khng gian ly tuong phu thuc vao s cp electron lin kt .
Trong truong hop phn tu AB
n
co chua cp electron hoa tri tu do thi do luc dy manh hon
cua cac cp electron hoa tri tu do di voi cac electron lin kt ma goc hoa tri giam xung
va cu hinh phn tu thay di phu thuc vao s cp electron hoa tri tu do.
Trong truong hop nguyn tu trung tm cua phn tu co electron hoa tri dc thn thi du
doan trang thai lai hoa cng nhu cu hinh cua phn tu , nguoi ta xem electron dc thn nhu
mt cp electron hoa tri tu do, nhung trong truong hop nay anh huong cua no di voi goc
lin kt s khac di : luc dy cua electron hoa tri dc thn yu hon cp electron lin kt nn
goc hoa tri s tng.|1|
D hiu r hon v ly thuyt nay ta xet cac vi du sau :
Ji du 1 :Xet cac phn tu CH
4
, NH
3
,H
2
O



Goc hoa tri cua chung la 109
o
28`, 107
o
3`, 104
o
5` bng hoc gn bng voi 109
o
28` nn
co th noi cac nguyn tu trung tm C,N,O du o trang thai lai hoa sp
3
va chung su dung cac
orbital lai hoa sp
3
d che phu voi cac orbital 1s cua nguyn tu H.Do do chung co cu hinh
khng gian nhu trn.
Trong phn tu CH
4
khng co cp electron hoa tri tu do nao o nguyn tu trung tm C,cac
cp electron du lin kt nn luc dy giua chung la nhu nhau do do su phn electron hoan
toan di xung.
Trong phn tu NH
3
, nguyn tu N trung tm co mt cp electron hoa tri tu do,cp nay
phn b trn mt orbital lai hoa sp
3
.Do tac dung dy cua no voi cac cp electron lin kt N
H nn goc hoa tri HNH nho hon 109
o
28` mt it
Trong phn tu H
2
O nguyn tu O trung tm co dn hai cp electron hoa tri tu do chim hai
orbital lai hoa sp
3
nn tac dung dy cua chung di voi lin kt O H lon hon trong phn tu
NH
3
va do do goc hoa tri HOH cang nho hon so voi 109
o
28`.
Ngoai ra,su co mt cua cac cp electron hoa tri tu do nay cng lam thay di cu hinh
khng gian phn tu cac ,hop cht .Chng han,di voi ba phn tu nu trn,CH
4
co cu hinh
tu din du,NH
3
co dang khi thap,H
2
O co dang goc mc du cac nguyn tu trung tm
C,N,O du co lai hoa ging nhau.
Ji du 2 : Xet phn tu NO
2
co dang goc voi goc hoa tri ONO 135
o
. Dc dim nay co th
giai thich nhu sau : trong phn tu NO
2
, s lin kt la 2, s electron tu do cua N bng 17 -
16 1; nhung do mt electron nay duoc xem la mt cp electron hoa tri tu nn tng s lin
kt va s cp electron hoa tri tu do bng 3 va nhu vy nguyn tu N phai o trang thai lai
hoa sp
2
,phn tu NO
2
o dang goc.Tuy nhin do electron hoa tri dc thn cua N dy yu hon
cac cp electron lin kt nn goc hoa tri phai lon hon 120
o
va bng 135
o.

Tom lai,d du doan cu hinh khng gian,goc hoa tri cua phn tu cn phai tinh s cp
electron lin kt ( hay s nguyn tu bin lin kt voi nguyn tu trung tm cua phn tu)
va s cp electron hoa tri tu do cua nguyn tu trung tm ri dua vao mi quan h giua cu
hinh phn tu va s cp electron lin kt , s cp electron hoa tri tu do, cng nhu cac yu t
co anh huong dn su phn b cua cac cp electron d suy ra goc hoa tri va cu hinh khng
gian cua phn tu.|1|