Boron di- and tri-cations

Ignacio Vargas-Baca, Michael Findlater, Adam Powell, Kalyan V. Vasudevan, Alan H. Cowley

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Abstract

Previous work on boron di- and tri-cations is reviewed. The structural chemistry of representative examples of these classes of compound has been probed by determination of the single-crystal X-ray structures of [(4-Mepy) 4B]Br3 and [py3BH]Br2. The electronic structures of the polycations [(py)3BH]2+, [(py)3BBr]2+, [(4-Mepy)3BH]2+, [(4-Mepy)4B]3+, [(Me3P)3BH] 2+ and [(Me3P)4B]3+ have been examined by DFT methods. The atomic charges on these cations were evaluated by Mulliken, natural population analysis (NPA), Hirschfeld and Voronoi deformation density (VDD) methods.

Original languageEnglish
Pages (from-to)6421-6426
Number of pages6
JournalDalton Transactions
Issue number45
DOIs
StatePublished - 2008

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    Vargas-Baca, I., Findlater, M., Powell, A., Vasudevan, K. V., & Cowley, A. H. (2008). Boron di- and tri-cations. Dalton Transactions, (45), 6421-6426. https://doi.org/10.1039/b810575h