Methyl isocyanate: An analysis of the low-J rotational spectrum using the quasi-symmetric top molecule approach
Authors:
- Jacek Koput
Abstract
The low-J rotational spectrum of methyl isocyanate (CH3NCO) has been analyzed in terms of the quasi-symmetric top molecule model, accounting explicitly for the large-amplitude CNC bending motion, and internal and overall rotation. An assignment of 25 J = 1 ← 0 and 2 ← 1 rotational transitions arising from the various CNC bending and torsional states is proposed. The molecule is found to be a nearly freely internally rotating quasi-symmetric top, with a barrier to linearity of the CNCO skeleton of 1049 cm-1 and an equilibrium CNC valence angle of 140.2°. © 1984.
- Record ID
- UAM7a662fae2bda4be59a68a9b014ed6e76
- Author
- Journal series
- Journal of Molecular Spectroscopy, ISSN 0022-2852
- Issue year
- 1984
- Vol
- 106
- Pages
- 12-21
- ASJC Classification
- ; ;
- DOI
- DOI:10.1016/0022-2852(84)90078-X opening in a new tab
- Language
- en English
- Score (nominal)
- 20
- Score source
- journalList
- Publication indicators
- = 29.000; : 1999 = 0.981; : 2006 = 1.260 (2) - 2007=1.157 (5)
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- Uniform Resource Identifier
- https://researchportal.amu.edu.pl/info/article/UAM7a662fae2bda4be59a68a9b014ed6e76/
* presented citation count is obtained through Internet information analysis and it is close to the number calculated by the Publish or Perishopening in a new tab system.
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