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Issue 30, 2012
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Association of frustrated phosphine–borane pairs in toluene: molecular dynamics simulations

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Abstract

Explicit solvent molecular dynamics simulations of the (tBu)3P/B(C6F5)3 pair in toluene allowed the estimation of the degree of intermolecular association and the population of encounter complex states in solution phase.

Graphical abstract: Association of frustrated phosphine–borane pairs in toluene: molecular dynamics simulations

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Publication details

The article was received on 16 Feb 2012, accepted on 02 Apr 2012 and first published on 05 Apr 2012


Article type: Communication
DOI: 10.1039/C2DT30370A
Citation: Dalton Trans., 2012,41, 9023-9025
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    Association of frustrated phosphine–borane pairs in toluene: molecular dynamics simulations

    I. Bakó, A. Stirling, S. Bálint and I. Pápai, Dalton Trans., 2012, 41, 9023
    DOI: 10.1039/C2DT30370A

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