Boron di- and tri-cations

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

doi:10.1039/b810575h

Boron di- and tri-cations

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

Chemistry and Biochemistry

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33 Scopus citations

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 language	English
Pages (from-to)	6421-6426
Number of pages	6
Journal	Dalton Transactions
Issue number	45
DOIs	https://doi.org/10.1039/b810575h
State	Published - 2008

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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.",

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T1 - Boron di- and tri-cations

AU - Vargas-Baca, Ignacio

AU - Findlater, Michael

AU - Powell, Adam

AU - Vasudevan, Kalyan V.

AU - Cowley, Alan H.

PY - 2008

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AB - 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.

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JO - Dalton Transactions

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Boron di- and tri-cations

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