ANALYSIS OF TORSIONAL SPECTRA OF MOLECULES WITH TWO $C_{3v}$ INTERNAL ROTORS. cis- AND trans-2 Butene

Loading...
Thumbnail Image

Date

1979

Journal Title

Journal ISSN

Volume Title

Publisher

Ohio State University

Research Projects

Organizational Units

Journal Issue

Abstract

The low-frequency Raman and far infrared spectra of gaseous cis- and trans-2-butene have been recorded from 70 to 450cm−1. Considerable torsional data have been obtained for the trans-2-butene, molecule with the Au torsional fundamental being observed at 163.6cm−1 in the infrared spectrum. The overtone of the B fundamental was observed in the Raman spectrum at 432cm−1. The potential function based on a semi-rigid model and the effective barrier was found to be 703cm−1 (2.04 kcal/mole). The cosine-cosine coupling term, V33, was found to be zoro whereas the sine-sine coupling term, V33 has a value of -48cm−1 (-0.14 kcal/mole) and V60=V06=−4cm−1 (-0.01 kcal/mole). For the cis-2- butane molecule only the B2 torsional mode was observed at 101.0cm−1 which gives an effective barrier of 250cm−1 (0.87 kcal/mole). These data are compared to the corresponding quantities obtained earlier by other methods.

Description

Author Institution:

Keywords

Citation