Effect of OH internal torsion on the OH-stretching spectrum of cis,cis-HOONO.
作者信息
Schofield Daniel P, Kjaergaard Henrik G
机构信息
Department of Chemistry, University of Otago, P.O. Box 56, Dunedin, New Zealand.
出版信息
J Phys Chem A. 2005 Mar 10;109(9):1810-4. doi: 10.1021/jp0448999.
PMID:16833510
Abstract
We show that a simple two-dimensional vibrational model can explain most of the features observed in the first and second OH-stretching overtone region of the room temperature cis,cis-HOONO spectrum. The model uses ab initio calculated parameters and includes the OH-stretching mode coupled to the internal torsion of the OH group.
摘要
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