Chemistry Reference
In-Depth Information
Figure 2.21
Orthogonal sp
2
b
1
bond hybrid of C
2v
symmetry on oxygen overlapping
(shaded area) the h
1
orbital at
u ¼
52
:
5
to give a straight O
H bond in H
2
O
28
.
Reprinted from Chemical Physics Letters, 474, Magnasco, V., On the hybridization
problem in H
2
ObyH¨ ckel transformation theory. 212-216, Copyright (2009), with
permission from Elsevier
0
@
1
A
1
2
1
p
p
ð
b
1
b
2
Þ¼ð
by
Þ
ð
2
:
218
Þ
1
2
p
1
2
p
obtaining in this way the three orthonormal sp
2
hybrids of C
2v
symmetry:
<
b
þ
y
1
2
b
1
¼
p ¼
p
ð
s sin
vþ
z cos
vþ
y
Þ
b
y
1
2
ð
2
:
219
Þ
:
b
2
¼
p ¼
p
ð
s sin
vþ
z cos
v
y
Þ
l
¼
s cos
v
z sin
v
The hybridization parameter
v
, arbitrary so far, is best chosen so as the
bondhybrids b
1
and b
2
point in the directionof the twoO
Hbonds, giving
in thisway strongest bondingwithH1s orbitals and satisfying the principle
of maximum overlap. According to Equation (2.214), 2
u ¼
105
gives
40
, and we obtain the set (Figure 2.21):
v
8
<
b
1
¼
0
:
45 34 36 s
þ
0
:
54 25 82 z
þ
0
:
70 71 06 y
¼
hy
1
b
2
¼
0
:
45 34 36 s
þ
0
:
54 25 82 z
0
:
70 71 06 y
¼
hy
2
ð
2
:
220
Þ
:
l
¼
0
:
76 73 27 s
0
:
64 12 55 z
¼
hy
3
28
The equivalent b
2
bond hybrid is obtained by reflection of b
1
across the zx plane.
