INVESTIGATION OF THE TORSION ROTATION ENERGY-LEVELS OF THE CH3 ASYMMETRIC STRETCHES IN METHANOL

被引:10
作者
BIGNALL, ON [1 ]
HUNT, RH [1 ]
SHELTON, WN [1 ]
机构
[1] FLORIDA STATE UNIV,DEPT PHYS,TALLAHASSEE,FL 32306
关键词
D O I
10.1006/jmsp.1994.1179
中图分类号
O64 [物理化学(理论化学)、化学物理学]; O56 [分子物理学、原子物理学];
学科分类号
070203 ; 070304 ; 081704 ; 1406 ;
摘要
The CH3 asymmetric stretching region of methanol vapor has been investigated between 2900 and 3200 cm-1 with a 1.25-m maximum path difference Fourier transform spectrometer. Thirteen P branches and eleven R branches were assigned (13 series representing six excited states belonging to the nu2 fundamental and 11 series representing five excited states belonging to the nu9 fundamental). A nonlinear least-squares analysis of the Q-branch origins for three parameters (the bandcenter, the hindering potential barrier height, and the moment of inertia of the methyl group about the symmetry axis) of the molecule was done. This yielded a bandcenter of 2999.44 cm-1, a barrier height of 405.62 cm-1, and a moment of inertia of 5.29 cm-1 for the nu2 fundamental. The corresponding values for the nu9 fundamental are 2970.18, 529.7 1, and 5.34 cm-1, respectively. The ambiguity of these parameters owing to the relatively small number of identified torsional levels is discussed. (C) 1994 Academic Press, Inc.
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页码:137 / 146
页数:10
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