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.
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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|Item Type:||Journal Article|
|Keywords:||boron hydroxide, dihydroxyborinium ions, electron transfer, G2, calculations, mass spectrometry, reionization mass-spectrometry, molecules, cations, energies, gaussian-2, affinities, chemistry|
|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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