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HC V CU TO PHN T
(Thi lng: 6t LT + 2t BT)
C th xc nh gn ng: dA-B = rA + rB
d di lin kt
r bn knh nguyn t
Khi A, B c m in gn nhau:
d A B rA rB
Khi A, B c m in xa nhau:
d A B rA rB 0,09 A B
4
c EOH =
QphanhuyH
91910
2O
= 459,5 kJ > 0
2
2
6
2. LIN KT ION
Tng
tc ha
hc gm
Na +
Cl
Na+
+
Cl
1s22s22p63s1 1s22s22p63s23p5 1s22s22p6 1s22s22p63s23p6
Na+
Cl NaCl
12
13
14
PT
r12
ra2
2
_
rb1
Rab
rb2
+
b
Hm i xng:
S C S ( a1 b 2 b1 a 2 )
Hm bt i xng:
A C A ( a1 b 2 b1 a 2 )
A C A ( a1 b 2 b1 a 2 )
S C S ( a1 b 2 b1 a 2 )
16
17
18
+ .
H H
.
.
20
V d 2: Xt phn t HCl
H(z = 1)
1s1
3s2 3px2
Cl (z = 17)
3py2 3pz1
cu
a Hydro
H
cu
a Clo
Cl
Cl
3p
1s
21
22
1s
5p
1s
Te 5p
26
27
30
Lai ha sp
c thc hin do s t hp mt orbital s vi mt
orbital p (ca cng mt nguyn t) v kt qu l
xut hin hai orbital lai ha sp phn b i xng
di mt gc 180o.
o
180
sp
sp
s
H
sp
Be
180 o
s
H
Be
H
31
Lai ha sp2
Xy ra do s t che ph gia mt orbital s v hai orbital
p (ca cng mt nguyn t). Kt qu to thnh 3 orbital lai
ha sp2 phn b i xng di gc 120o
2
sp
120 o
p
p
sp 2
sp
120
Cl
3p
sp 2
Cl
3p
32
Lai ha sp3
Khi t hp mt orbital s v ba orbital p (ca cng
mt nguyn t) thu c lai ha sp 3 vi s to thnh 4
orbital lai ha phn b i xng nhau trong khng
gian theo hng n 4 nh ca mt t din u v
di nhng gc 109o28.
sp
sp3
s
sp
109 o28'
sp 3
33
Cl
Cl
Cl
Cl
34
sp3
sp
sp 3
109 o28'
H
109o28' H
C
H
H
H
107o3 H
o
104 5 H
36
Kiu
lai ha
sp
sp2
sp3
sp3d
sp3d2
37
Bc 3:
a) Nguyn t (C, N, O) trng thi lai ha sp3 khi lin kt
vi 4 nguyn t khc th s l tm ca t din m 4 nguyn
t kia l 4 nh; khi lin kt vi 3 nguyn t khc th s l 1
nh ca chp tam gic m 3 nguyn t kia l 3 nh khc;
khi lin kt vi 2 nguyn t khc th s l nh ca 1 gc
m 2 nguyn t kia nm trn 2 cnh ca gc.
b) Nguyn t (C, N, O) trng thi lai ha sp2 khi lin kt
vi 3 nguyn t khc th s l tm ca 1 tam gic m 3
nguyn t kia l 3 nh; khi lin kt vi 2 nguyn t khc
th s l nh ca 1 gc m 2 nguyn t kia nm trn 2
cnh ca gc..
c) Nguyn t (C, N, O) trng thi lai ha sp khi lin kt
vi 2 nguyn t khc th s gia 2 nguyn t kia trn mt
ng thng.
41
42
s
44
truc lie
n ke
t
truc lie
n ke
t p
z
lie
n ke
t
dzx
lie
n ke
t
45
47
2pz
2p
2px
X
2p
x
sp2
2pz
O
2pz
O
2p z
48
O
1,33
1,29
C= O
2
1,22
51
NT
52
H C1 a C 2 b
2
53
Gii ra ta c: C1 = C2 v C2 = - C1
Vy ta c
S C S (a b )
A C A (a b )
Hm : Axc sut c mt electron trn mt phng
i xng bng khng, lm tng nng lng ca
h. Khng a n to thnh lin kt ha hc.
Orbital phn t gi l orbital phn t phn lin
kt.
54
55
Tn gi cc MO ( ) c xc nh
ty thuc vo cch che ph ca cc AO i
vi trc ni ht nhn nguyn t ging nh
trong phng php VB.
V d: s t hp ca 2 AO 1s to thnh 2 MO
lin kt 1s v phn lin kt *1s
58
59
Bc lin kt
Theo phng php MO, lin kt trong phn t c xc
nh bng s electron lin kt khng b electron phn
lin kt trit tiu (mt electron phn lin kt trit tiu 1
electron lin kt) v mt bc ca lin kt tng ng vi 2
electron lin kt, nh vy:
Bc lin kt =
(s electron lin kt s electron phn lin kt)/ (2*s
lin kt )
Lu : khi bc lin kt bng 0, lin kt thc t khng
hnh thnh.
60
MO
*
1s
H2+
H2
He2+ He2
1s
Bc lin kt
0,5
1
0,5
0
Chiu di lin kt, A0 1,06
0,74
1,08
Nng lng
255 431
251
lin kt (kj/mol)
Cu hnh electron phn t : biu din cc k hiu
orbital phn t vi s m l s electron phn b trn
chng v sp xp theo trt t tng dn nng lng.
2
2
1
:
(
)
e
:
(
)
(
)
H2 : ( )
1s
2
1s
1s 1s
2
62
65
i vi cc nguyn t u chu k (t Li n N)
Do chnh lch nng lng E gia cc AO 2p
v 2s nh nn cc AO 2s t hp c vi nhau v
vi cc AO 2p.
S t hp 2 AO 2s v 2 AO 2px to thnh 4 MO
*
2s , 2px , *
,
2s
2px
67
22s
px
2py,z
2px
2py,z
2s
Bc lin kt
Chiu di
lin kt, A0
Nng lng
N2
N2+
1
2,67
1
1,59
2
1,24
3
1,10
2,5
1,12
105
289
599
940
828
68
i vi cc nguyn t cui CK
2s
MO
O2+
O2
O2
2px
2py,z
2py,z
2px
2s
Bc lin kt
Chiu di
lin kt, A0
Nng lng
linkt (kj/mol)
F2
Ne2
2.5
1.12
2
1.21
1.5
1.26
1
1,41
629
494
328
154
69
Nhn xt
Bc lin kt tng di lin kt gim Nng
lng lin kt tng bn lin kt tng.
S tng electron trn cc MO lin kt lm tng
bn ca lin kt cng nh phn t. Ngc li, s
tng electron trn cc MO phn lin kt lm gim
bn ca lin kt cng nh phn t.
70
Tnh cht t
Khi phn t c cha electron c thn: thun t,
b nam chm ht.
Khi phn t khng cha electron c thn:
nghch t, t trng ca hai spin ngc nhau s
trit tiu nhau, cht khng bi nam chm ht.
71
Mu sc cc cht v c
Cc electron phn b trn orbital phn t khi b
kch thch cng c th hp thu cc tia vng quang
ph ca nh sng thy c chuyn sang orbital
c nng lng cao hn.
72
73
l.
n v: Culong-met, Debye D
1D = 3.336x10-30 C.m
75
H - Cl
nh hng ca cu to phn t
V d: Phn t CO2 tuy C-O c cc mnh C O
2.7 D
nh hng ca cp electron ha tr t do n
moment lng cc
V d: NH3 v NF3 . Cc lin kt N-H v N-F u c
cc, trong
c cc ca
N H N,nhng
F
78