VIBRATIONAL CIRCULAR DICHROISM SPECTRA OF MOLECULES CONTAINING SECOND-ROW ELEMENTS

Loading...
Thumbnail Image

Date

1988

Journal Title

Journal ISSN

Volume Title

Publisher

Ohio State University

Research Projects

Organizational Units

Journal Issue

Abstract

The accuracy of ab initio predictions of vibrational circular dichroiam (VCD) spectra of molecules containing H, C, N, O and F is becoming increasingly well-defined. However, no studies have been reported so far on molecules containing second-row atoms. We present calcultions on several molecules containing second-row atoms. Scaled quantum-mechanical (SQM) force fields have been obtained for the molecules studied. Predictions are compared with existing experimental data.

Description

Author Institution: Department of Chemistry, University of Southern California

Keywords

Citation