Skip to main content
U.S. flag

An official website of the United States government

Official websites use .gov
A .gov website belongs to an official government organization in the United States.

Secure .gov websites use HTTPS
A lock ( ) or https:// means you’ve safely connected to the .gov website. Share sensitive information only on official, secure websites.

The Ground and First Excited Torsional States of Acetic Acid

Published

Author(s)

Vadim V. Ilyushin, E A. Alekseev, S K. Dyubko, S V. Podnos, I Kleiner, L Margules, G Wlodarczak, J Demaison, J Cosleou, B Mate, E N. Karyakin, G Y. Golubiatnikow, Gerald T. Fraser, R D. Suenram, Jon T. Hougen

Abstract

A global fit of microwave and millimeter wave rotational transitions in the ground and first excited torsional states (vt = 0 and 1) of acetic acid (CH3COOH) is reported, which combines older measurements from the literature with new measurements from Lille, NIST, and Kharkov. The fit uses a model developed initially for acetaldehyde and methanol type internal rotor molecules. It requires 34 parameters to achieve a unitless weighted standard deviation of 1.10 for a total of 2411 data, and includes A and E species transitions with J # 30 and Ka # 15. While these results represent a significant improvement over past fitting attempts, it should be cautioned that the present data set is dominated by vt = 0 transitions, and no direct infrared measure of the vt = 1 - 0 torsional interval is available.
Citation
Journal of Molecular Spectroscopy
Volume
205
Issue
No. 2

Keywords

acetic acid, global fit, internal rotation, microwave spectrum, torsion-rotation Hamiltonian

Citation

Ilyushin, V. , Alekseev, E. , Dyubko, S. , Podnos, S. , Kleiner, I. , Margules, L. , Wlodarczak, G. , Demaison, J. , Cosleou, J. , Mate, B. , Karyakin, E. , Golubiatnikow, G. , Fraser, G. , Suenram, R. and Hougen, J. (2001), The Ground and First Excited Torsional States of Acetic Acid, Journal of Molecular Spectroscopy (Accessed December 1, 2024)

Issues

If you have any questions about this publication or are having problems accessing it, please contact reflib@nist.gov.

Created January 31, 2001, Updated October 12, 2021