The structures of some trimers of carbon monoxide--an infrared matrix isolation spectroscopic and ab initio molecular orbital study

Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
Thomas A Ford

Abstract

Using a number of potential models for the gas-phase structure of the trimer of carbon monoxide as a guide, ab initio molecular orbital calculations have been carried out on this aggregate in order to determine its probable structure and vibrational spectrum in cryogenic matrices. The Fourier transform infrared spectra of carbon monoxide trapped in argon and nitrogen matrices have been recorded and, on the basis of the results of the theoretical calculations, a search for possible absorptions which may be assigned to trimeric species has been undertaken.

Citations

Mar 1, 2013·The Journal of Chemical Physics·Mojtaba RezaeiA R W McKellar
Apr 11, 2009·The Journal of Physical Chemistry. B·George Firanescu, Ruth Signorell

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