The Ground and First Excited Torsional States of Acetic Acid

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 Kharkov, Lille, and NIST. The fit uses a model d...

Full description

Saved in:
Bibliographic Details
Published in:Journal of molecular spectroscopy 2001-02, Vol.205 (2), p.286-303
Main Authors: Ilyushin, V.V., Alekseev, E.A., Dyubko, S.F., Podnos, S.V., Kleiner, I., Margulès, L., Wlodarczak, G., Demaison, J., Cosléou, J., Maté, B., Karyakin, E.N., Golubiatnikov, G.Yu, Fraser, G.T., Suenram, R.D., Hougen, J.T.
Format: Article
Language:English
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary: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 Kharkov, Lille, and NIST. 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 0.84 for a total of 2518 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.
ISSN:0022-2852
1096-083X
DOI:10.1006/jmsp.2000.8270