The Infrared Spectra of BF3+ and BF2OH+ Trapped in Solid Neon
Marilyn E. Jacox, Warren E. Thompson
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.
and Thompson, W.
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 June 7, 2023)