Abstract
A quadratic force field with twenty-six non-zero constants is chosen for benzene and reasons are given for preferring the constants chosen when alternative values are possible. Using this field all the vibration frequencies of C
6
H
6
, C
6
H
5
D ,
ortho-
,
meta-
and
para-
C
6
H
4
D
2
,
sym
.- and
vic
.-C
6
H
3
D
3
,
para
-C
6
H
2
D
4
and C
6
D
6
are calculated and found to agree with the experimental values of Ingold and coworkers to better than 2 %. Four dipole moment derivative parameters are introduced to give satisfactory indications of the infra-red absorption intensities and ten polarizability parameters are used to give satisfactory indications of Raman shift intensities and degrees of polarization. The alternative B
2u
class assignment of Mair & Hornig is also discussed.
Cited by
278 articles.
订阅此论文施引文献
订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献