Effect of OH internal torsion on the OH-stretching spectrum of cis,cis-HOONO.
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.
Schofield
Daniel P
DP
Department of Chemistry, University of Otago, P.O. Box 56, Dunedin, New Zealand.
Kjaergaard
Henrik G
HG