Spectroscopic characterization of peroxynitrous acid in cis-perp configurations

J Phys Chem A. 2006 May 4;110(17):5607-12. doi: 10.1021/jp056959w.

Abstract

This paper presents experimental evidence, supported by two-dimensional theoretical calculations, that HOONO can be observed in cis-perp (cp) configurations in a pulsed supersonic expansion. The spectral properties (transition frequency, rotational constants, and transition type) of OH overtone transitions originating from a state with predominately cp character are predicted theoretically and compared with those associated with a weak feature at 6996.2 cm(-1) observed experimentally using infrared action spectroscopy. This spectral feature is attributed to HOONO in cp configurations based on its vibrational frequency, rotational band contour, and resultant OH product state distribution.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Molecular Conformation
  • Peroxynitrous Acid / chemistry*
  • Sensitivity and Specificity
  • Spectrophotometry, Infrared / methods

Substances

  • Peroxynitrous Acid