Generation and characterization of ionic and neutral dihydroxy boron B(OH)(2)(+/0) in the gas phase

Srinivas, Ragampeta, Vivekananda, Shetty, Blanksby, Stephen J., Schroder, Detlef, Schwarz, Helmut, Fell, Lorne M., & Terlouw, Johan K. (2000) Generation and characterization of ionic and neutral dihydroxy boron B(OH)(2)(+/0) in the gas phase. International Journal of Mass Spectrometry, 197(1-3), pp. 105-111.

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The dicoordinated borinium ion, dihydroxyborinium, B(OH)(2)(+) is generated from methyl boronic acid CH3B(OH)(2) by dissociative electron ionization and its connectivity confirmed by collisional activation. Neutralization-reionization (NR) experiments on this ion indicate that the neutral B(OH)(2) radical is a viable species in the gas phase. Both vertical neutralization of B(OH)(2)(+) and reionization of B(OH)(2) in the NR experiment are, however, associated with particularly unfavorable Franck-Condon factors. The differences in adiabatic and vertical electron transfer behavior can be traced back to a particular pi stabilization of the cationic species compared to the sp(2)-type neutral radical. Thermochemical data on several neutral and cationic boron compounds are presented based on calculations performed at the G2 level of theory.

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ID Code: 70672
Item Type: Journal Article
Refereed: Yes
Keywords: boron hydroxide, dihydroxyborinium ions, electron transfer, G2, calculations, mass spectrometry, reionization mass-spectrometry, molecules, cations, energies, gaussian-2, affinities, chemistry
DOI: 10.1016/s1387-3806(99)00223-7
ISSN: 1387-3806
Divisions: Current > Schools > School of Chemistry, Physics & Mechanical Engineering
Current > QUT Faculties and Divisions > Science & Engineering Faculty
Copyright Owner: Copyright 2000 Elsevier Science B.V.
Deposited On: 29 Apr 2014 04:32
Last Modified: 29 Apr 2014 04:32

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