Effect of dimerization on Raman intensities: An SCFab initiostudy of (HCl)2
作者:
B. Silvi,
M. Allavena,
期刊:
Journal of Raman Spectroscopy
(WILEY Available online 1985)
卷期:
Volume 16,
issue 1
页码: 7-10
ISSN:0377-0486
年代: 1985
DOI:10.1002/jrs.1250160103
出版商: John Wiley&Sons, Ltd.
数据来源: WILEY
摘要:
AbstractThe intensities of the Raman lines corresponding to the intramolecular stretching modes of (HCl)2have been calculated from an SCF wavefunction. It is found that the derivatives of the mean polarizability and of the polarizability anisotropy of the proton donor unit are enhanced, while the corresponding properties of the proton acceptor unit remain unaffected. The theoretical intensity ratio is calculated to be 1.69 in qualitative agreement with experiment.
点击下载:
PDF
(431KB)
返 回