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The Anharmonic Force Fields of Arsine, Stibine, and Bismutine

✍ Scribed by J. Breidung; W. Thiel

Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
727 KB
Volume
169
Category
Article
ISSN
0022-2852

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✦ Synopsis

The cubic and quartic force fields of (\mathrm{AsH}{3}, \mathrm{SbH}{3}), and (\mathrm{BiH}{3}) are determined from ab initio calculations using effective core potentials and polarized double-zeta valence basis sets. The computed geometries, dipole moments, rotational constants, vibration-rotation interaction constants, (l)-doubling constants, anharmonicity constants, vibrational wavenumbers, centrifugal distortion constants, and Coriolis coupling constants are compared with the available experimental data for (\mathrm{AsH}{3}) and (\mathrm{SbH}{3}). The vibrational wavenumbers and other spectroscopic constants for the (\mathrm{BiH}{3}) molecule are predicted. (c) 1995 Academic Press. Inc.

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