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Electronic spectra of the OH(A2Σ+)-H2 and OH(A2Σ+)-D2 complexes

✍ Scribed by Ramón Hernández; David C. Clary

Publisher: Elsevier Science
Year: 1995
Tongue: English
Weight: 334 KB
Volume: 244
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(95)00944-y

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✦ Synopsis

The electronic spectra for the OH-H 2 and OH-D 2 complexes have been predicted from first principles. Our method relies on high quality ab initio calculations of a minimum energy path and an adiabatic separation of the bending vibrational modes. The model allows a simple interpretation and tentative assignment of an observed experimental spectrum of Loomis and Lester.

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