| 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 |
| PDF version: |
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