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Crystal field theory analysis of rovibrational spectra of carbon monoxide monomers isolated in solid parahydrogen

TitleCrystal field theory analysis of rovibrational spectra of carbon monoxide monomers isolated in solid parahydrogen
Publication TypeJournal Article
Year of Publication2009
AuthorsFajardo, ME, C. Lindsay, M, Momose, T
JournalJOURNAL OF CHEMICAL PHYSICS
Volume130
Pagination244508
Date PublishedJUN 28
ISSN0021-9606
Abstract

We report the first rotationally resolved and completely assigned rovibrational spectrum for a nonhydride molecule rotating in the solid phase: carbon monoxide (CO) monomers isolated in cryogenic solid parahydrogen (p-H(2)). We employ a modified crystal field theory model, in which the CO molecular spectroscopic constants are taken as adjustable parameters, to make good spectroscopic assignments for all the observed features. We discuss the limitations of this approach and highlight the need for improved theoretical models of molecular rotation dynamics in quantum solids.

DOI10.1063/1.3158947