THE ANHARMONIC-FORCE FIELDS OF ARSINE, STIBINE, AND BISMUTINE

The cubic and quartic force fields of AsH3, SbH3, and BiH3 are determi ned from ab initio calculations using effective core potentials and po larized double-zeta valence basis sets. The computed geometries, dipol e moments, rotational constants, vibration-rotation interaction consta nts, l-doubling constants, anharmonicity constants, vibrational wavenu mbers, centrifugal distortion constants, and Coriolis coupling constan ts are compared with the available experimental data for AsH3 and SbH3 . The vibrational wavenumbers and other spectroscopic constants for th e BiH3 molecule are predicted. (C) 1995 Academic Press, Inc.