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

Published

May 20, 2011

Author(s)

Marilyn E. Jacox, Warren E. Thompson

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

Pub Type

Journals

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Keywords

BF2 anion, BF2 cation, BF2OH cation, BF3 cation, BF3 anion, infrared spectrum, neon matrix, pseudo-Jahn-Teller interaction

Citation

Jacox, M. and Thompson, W. (2011), The Infrared Spectra of BF3+ and BF2OH+ Trapped in Solid Neon, Journal of Chemical Physics, [online], https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=907606 (Accessed October 2, 2025)