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The vibrational energy pattern in acetylene VII: (12)C(13)CH2.

Authors :
Robert S
Fayt A
Di Lonardo G
Fusina L
Tamassia F
Herman M
Source :
The Journal of chemical physics [J Chem Phys] 2005 Nov 01; Vol. 123 (17), pp. 174302.
Publication Year :
2005

Abstract

In (12)C(13)CH(2) 129 vibrational term values up to 10,000 cm(-1) are merged, about 60% of which are newly reported. They are fitted using an effective Hamiltonian with a standard deviation of 0.22 cm(-1). The vibrational assignments and vibrational constants are listed and discussed. The energy pattern is found to be very similar to the one in (12)C2H2 with additional anharmonic resonances arising from the lack of u/g character in the asymmetric isotopolog.

Details

Language :
English
ISSN :
0021-9606
Volume :
123
Issue :
17
Database :
MEDLINE
Journal :
The Journal of chemical physics
Publication Type :
Academic Journal
Accession number :
16375523
Full Text :
https://doi.org/10.1063/1.2056538