$\tau$-DEPENDENCE OF THE VIBRATIONAL ZEROPOINT ENERGY IN THE PARTIALLY DEUTERATED METHYL ALCOHOLS, REVISITED

Chang, T. L.; Quade, C. R.

$\tau$-DEPENDENCE OF THE VIBRATIONAL ZEROPOINT ENERGY IN THE PARTIALLY DEUTERATED METHYL ALCOHOLS, REVISITED

Files

1985-RF-11.jpg (88.3 KB)

Date

1985

Authors

Chang, T. L.

Quade, C. R.

Publisher

Ohio State University

Abstract

The contribution of the zeropoint energy from the 3N - 7 other vibrations to the effective potential energy for internal rotation have been calculated for eight isotopic species of methyl alcohol. The basis of the calculation is the set of force constants determined by Serrallach, Meyer, and $G u n t h a r d 1$ from infrared analyses. The calculated results for $C H 2 D O H$ are $V 1 =11.93 c m −1$ and $V 2 =0.17 c m −1$ with $Δ v 3 <0.05 c m −1$ . These values agree favorably with the experimental results as previously determined by Quade and $S u e n r a m 2$ from analysis of the microwave torsional-rotational spectra of $C H 2 D O H$ .

Description

A Serrallach, R. Mever, and Hs. H. Gunthard, J. Mol. Spec. 52, 94(1974). 2. C. R. Quade and R. D. Suenram, J. Chem. Phys. 73, 1127(1980): 81, 1054(1984).

Author Institution: Department of Physics, Texas Tech University

URI

http://hdl.handle.net/1811/12169

Collections

Abstracts of OSU International Symposium on Molecular Spectroscopy 1980-1989

Full item page

Knowledge Bank