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

Published

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

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 December 3, 2023)
Created May 20, 2011, Updated February 19, 2017