Table 5.5
The polarizabilities of H
2 , O
2 , N
2 , CO
2 , CO, CN, HCl, HCN, NaCl, OH, N
2 H
+
, CH
4 molecules (in a.u.)
Property H
2
O
2
N
2
CO
2
CO
CN
HCl
HCN
NaCl
OH
N
2 H
+
CH
4
a xx
¼ a yy 4.73
a
8.20
a
10.33
a
12.92
a
11.86
a
16.24
a
16.66
a
13.93
a
28.44
a
6.22
a
7.75
a
16.61
a
a zz
6.72
a
15.09
a
15.14
a
27.11
a
15.45
a
25.19
a
18.34
a
22.25
a
33.03
a
8.63
a
13.91
a
16.61
a
a
b
5.39
a
5.42
[70]
10.49
a
10.59
[91]
11.93
a
11.74
[92]
17.65
a
17.69
[75]
13.06
a
13.09
[93]
19.22
a
19.28
[94]
17.22
a
17.39
[95]
16.70
a
16.74
[96]
29.97
a
28.70
[84]
7.03
a
9.80
a
16.61
a
17.24
[92]
A
x;xz
–
–
–
–
−14.80
a
−15.01
[97]
5.07
a
3.49
a
3.75
[44]
−1.49
a
47.78
a
−0.20
a
1.65
a
–
A
z;zz
–
–
–
–
−13.70
a
−13.92
[97]
4.56
a
14.01
a
14.0
[44]
−11.71
a
72.23
a
−6.28
a
−5.57
a
–
A
x;yz
–
–
–
–
–
–
−
–
–
–
–
9.32
a
9.01
[58]
E
x;xx
4.45
a
20.95
a
18.81
[72]
−23.01
a
−23.42
[56]
190.16
a
187.6
[75]
58.73
a
60.9
[97]
75.11
a
22.52
a
20.0
[44]
100.16
a
210.43
a
13.29
a
54.08
a
−18.97
a
−18.9
[58]
E
z;zz
−1.78
a
−17.93
a
−18.06
[72]
38.25
a
39.59
[56]
−68.62
a
−68.9
[75]
−37.65
a
−38.06
[97]
−40.83
a
2.19
a
3.0
[44]
−34.23
a
−95.17
a
−8.89
a
−18.60
a
−18.97
a
−18.9
[58]
C
x;xx
4.83
a
12.84
a
13.64
[72]
20.20
a
20.51
[56]
33.93
a
34.13
[75]
25.41
a
25.51
[97]
25.71
a
32.65
a
35.38
[44]
34.00
a
34.98
[96]
90.23
a
5742.7
a
13.74
a
37.30
a
36.77
[87]
C
zz;zz
6.36
a
22.30
a
23.00
[72]
34.82
a
34.64
[56]
82.26
a
80.94
[75]
45.94
a
46.25
[97]
42.72
a
39.92
a
41.68
[44]
67.18
a
68.59
[96]
160.02
a
832.2
a
30.20
a
37.23
a
36.77
[87]
C
xz;xz
4.45
a
19.75
a
20.48
[72]
27.54
a
27.20
[56]
53.73
a
54.81
[75]
37.33
a
37.61
[97]
32.09
a
24.38
a
26.11
[44]
39.89
a
40.51
[96]
100.70
a
8.9
a
17.90
a
32.69
a
31.99
[87]
a
Calculated in Ref. [88]
b
a ¼ 1=3ða
xx
þ a yy
þ a zz
Þ—the mean polarizability of a molecule
5.3 Multipole Moments and High-Order …
95