Generation and characterization of ionic and neutral dihydroxy boron B(OH)(2)(+/0) in the gas phase
Data(s) |
2000
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Resumo |
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. |
Identificador | |
Publicador |
Elsevier BV |
Relação |
DOI:10.1016/s1387-3806(99)00223-7 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. |
Direitos |
Copyright 2000 Elsevier Science B.V. |
Fonte |
School of Chemistry, Physics & Mechanical Engineering; Science & Engineering Faculty |
Palavras-Chave | #boron hydroxide #dihydroxyborinium ions #electron transfer #G2 #calculations #mass spectrometry #reionization mass-spectrometry #molecules #cations #energies #gaussian-2 #affinities #chemistry |
Tipo |
Journal Article |