SIMPLIFIED MODELING OF HIGH-J FAR-INFRARED AND MICROWAVE SPECTRA OF TETRAHEDRAL $XY_{4}$ MOLECULES

Loading...
Thumbnail Image

Date

1979

Journal Title

Journal ISSN

Volume Title

Publisher

Ohio State University

Research Projects

Organizational Units

Journal Issue

Abstract

We use the C3 and C4 symmetric-top representations 1,2 for rapidly rotating spherical-top molecules to approximate the clustered values of F3 and diagonal F4 coefficients with 3-J symbols. These coefficients then specify the intensities and wavenumbers, respectively, of absorption lines for the ``forbidden’’ pure rotational transitions in the vibrational ground state of tetrahedral XY4 molecules. We predict the absorption to be strongest for those states which correspond to rotation about the C3 axes, and which satisfy the selection rule ΔK=0,±3, Model spectra for ΔJ=+1 (far-infrared) and ΔJ=0 (microwave) transitions will be shown.

Description

1 W. G. Harter and C. W. Patterson, J. Chem. Phys. 66, 4872-4885 (1977); C. W. Patterson and W. G. Harter, J. Chem. Phys. 66, 4886-4892 (1977). 2 H. W. Galbraith, C. W. Patterson, B. J. Krohn, and W. G. Harter, J. Mol. Spectrosc. 73, 475-493 (1978).


Author Institution:

Keywords

Citation