Molecular structure of trimethylphosphine–gallane, Me3P·GaH3: gas-phase electron diffraction, single-crystal X-ray diffraction, and quantum chemical studies

Christina Y. Tang; Robert A. Coxall; Anthony J. Downs; Tim M. Greene; Lorna Kettle; Simon Parsons; David W. H. Rankin; Heather E. Robertson; Andrew R. Turner

doi:10.1039/B306736J

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Molecular structure of trimethylphosphine–gallane, Me₃P·GaH₃: gas-phase electron diffraction, single-crystal X-ray diffraction, and quantum chemical studies†

Christina Y. Tang,^a Robert A. Coxall,^b Anthony J. Downs,*^a Tim M. Greene,^c Lorna Kettle,^b Simon Parsons,^b David W. H. Rankin,^b Heather E. Robertson^b and Andrew R. Turner^b

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* Corresponding authors

^a Inorganic Chemistry Laboratory, University of Oxford, South Parks Road, Oxford, UK

^b School of Chemistry, University of Edinburgh, West Mains Road, Edinburgh, UK

^c School of Chemistry, University of Exeter, Stocker Road, Exeter, UK

Abstract

The structure of the gallane adduct Me₃P·GaH₃ in the vapour and crystalline states has been investigated. The gas-phase electron-diffraction (GED) pattern has been analysed using the SARACEN method to determine the most reliable structure of the gaseous molecule. Salient structural parameters (r_h1 structure) were found to be: r(Ga–H) 159.0(11), r(Ga–P) 244.3(6), r(P–C) 184.0(2), r(C–H) 108.3(7) pm; H–Ga–P 98.4(12) and Ga–P–C 117.7(3)°. The structure of a single crystal at 150 K shows that the adduct retains the same monomeric unit in the crystalline phase, with dimensions generally close to those of the gaseous molecule and an eclipsed conformation of the C₃PGaH₃ skeleton. The results are discussed and analysed in the light of quantum chemical calculations and of the properties of related adducts of Group 13 metal hydrides.

$Graphical abstract: Molecular structure of trimethylphosphine–gallane, Me3P·GaH3: gas-phase electron diffraction, single-crystal X-ray diffraction, and quantum chemical studies$

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DOI: https://doi.org/10.1039/B306736J
Article type: Paper
Submitted: 12 Jun 2003
Accepted: 31 Jul 2003
First published: 15 Aug 2003

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Dalton Trans., 2003, 3526-3533

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Molecular structure of trimethylphosphine–gallane, Me₃P·GaH₃: gas-phase electron diffraction, single-crystal X-ray diffraction, and quantum chemical studies

C. Y. Tang, R. A. Coxall, A. J. Downs, T. M. Greene, L. Kettle, S. Parsons, D. W. H. Rankin, H. E. Robertson and A. R. Turner, Dalton Trans., 2003, 3526 DOI: 10.1039/B306736J

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