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Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 6, Number 2
February 20, 1985 

Dipole Moment Derivatives and Infrared Intensities of SiH4 and SiD4
Kwan Kim, Hwi Geon Lee
The complete neglect of differential overlap (CNDO/2) approximate wavefunctions have been applied to select the preferred signs for the dipole moment derivatives of SiH4 and SiD4 in conjunction with the experimental alternatives. The apparent sign discrepancy from earlier report has been identified. The effective atomic charge for hydrogen was found to be χH/e = 0,229, more than two times larger in comparison with the values of typical hydrocarbons like CH4. The anomalously large effective hydrogen charge was interpreted based on a quantum mechanical model as well as the value of atom anisotropy relative to effective atomic charge.
79 - 86
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