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Publication Citation: The Infrared Spectra of BF3+ and BF2OH+ Trapped in Solid Neon

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Author(s): Marilyn E. Jacox; Warren E. Thompson;
Title: The Infrared Spectra of BF3+ and BF2OH+ Trapped in Solid Neon
Published: May 20, 2011
Abstract: Observations on a Ne:BF3 = 400:1 mixture into which a trace of normal or isotopically enriched water had been introduced, codeposited at 4.3 K with a beam of neon atoms that had been excited in a microwave discharge, demonstrate that a pair of absorptions previously assigned to the two boron-isotopic species of BF3+ should be reassigned to a BF2 stretching fundamental of BF2OH+. The OH stretching fundamental of that product was identified for the first time. The degenerate BF3 stretching fundamental of BF3+ appears at an unusually high frequency, consistent with strong pseudo-Jahn-Teller interaction of that ground-state fundamental with the B 2E' electronic state, as predicted by theory. The recent availability of detailed ab initio and density functional calculations of the vibrational fundamentals of BF2- and BF3- facilitates assignment of the infrared absorptions of those two products.
Citation: Journal of Chemical Physics
Volume: 134
Issue: 19
Pages: 9 pp.
Keywords: BF2 anion; BF2 cation; BF2OH cation; BF3 cation; BF3 anion; infrared spectrum; neon matrix; pseudo-Jahn-Teller interaction
Research Areas: Molecular Physics
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