Molecular structure of trimethylphosphine-gallane, Me3P center dot GaH3: gas-phase electron diffraction, single-crystal X-ray diffraction, and quantum chemical studiest

C Y  Tang; R A  Coxall; A J  Downs; T M  Greene; L  Kettle; S  Parsons; D W H  Rankin; H E  Robertson; Andrew Turner

doi:10.1039/b306736j

Molecular structure of trimethylphosphine-gallane, Me3P center dot GaH3: gas-phase electron diffraction, single-crystal X-ray diffraction, and quantum chemical studiest

C Y Tang, R A Coxall, A J Downs, T M Greene, L Kettle, S Parsons, D W H Rankin, H E Robertson, Andrew Turner

Research output: Contribution to journal › Article › peer-review

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), (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)degrees. 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.

Original language	English
Pages (from-to)	3526-3533
Number of pages	8
Journal	Dalton Transactions
Issue number	18
DOIs	https://doi.org/10.1039/b306736j
Publication status	Published - 21 Sept 2003

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Tang, C. Y., Coxall, R. A., Downs, A. J., Greene, T. M., Kettle, L., Parsons, S., Rankin, D. W. H., Robertson, H. E., & Turner, A. (2003). Molecular structure of trimethylphosphine-gallane, Me3P center dot GaH3: gas-phase electron diffraction, single-crystal X-ray diffraction, and quantum chemical studiest. Dalton Transactions, (18), 3526-3533. https://doi.org/10.1039/b306736j

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title = "Molecular structure of trimethylphosphine-gallane, Me3P center dot GaH3: gas-phase electron diffraction, single-crystal X-ray diffraction, and quantum chemical studiest",

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), (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)degrees. 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.",

author = "Tang, {C Y} and Coxall, {R A} and Downs, {A J} and Greene, {T M} and L Kettle and S Parsons and Rankin, {D W H} and Robertson, {H E} and Andrew Turner",

year = "2003",

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doi = "10.1039/b306736j",

language = "English",

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T1 - Molecular structure of trimethylphosphine-gallane, Me3P center dot GaH3: gas-phase electron diffraction, single-crystal X-ray diffraction, and quantum chemical studiest

AU - Tang, C Y

AU - Coxall, R A

AU - Downs, A J

AU - Greene, T M

AU - Kettle, L

AU - Parsons, S

AU - Rankin, D W H

AU - Robertson, H E

AU - Turner, Andrew

PY - 2003/9/21

Y1 - 2003/9/21

N2 - 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), (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)degrees. 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.

AB - 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), (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)degrees. 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.

U2 - 10.1039/b306736j

DO - 10.1039/b306736j

M3 - Article

SN - 1477-9226

SP - 3526

EP - 3533

JO - Dalton Transactions

JF - Dalton Transactions

IS - 18

ER -

Molecular structure of trimethylphosphine-gallane, Me3P center dot GaH3: gas-phase electron diffraction, single-crystal X-ray diffraction, and quantum chemical studiest

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