✦ LIBER ✦

New Assignments for the Infrared Spectrum of H3+

✍ Scribed by Bianca M. Dinelli; Liesl Neale; Oleg L. Polyansky; Jonathan Tennyson

Publisher: Elsevier Science
Year: 1997
Tongue: English
Weight: 759 KB
Volume: 181
Category: Article
ISSN: 0022-2852
DOI: 10.1006/jmsp.1996.7178

No coin nor oath required. For personal study only.

✦ Synopsis

Calculations are presented for H / 3 using two potential energy surfaces, one ab initio, the other spectroscopically determined, both of which include allowance for the adiabatic correction to the Born-Oppenheimer potential. Systematically labeled energy levels for H / 3 are presented and the spectra calculated for a number of temperatures. Assignments are given for 105 or about 85% of the published unassigned H / 3 infrared transitions. Forty previously assigned transitions are relabeled or reassigned. Calculations for higher J levels are discussed.

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