Preparation and molecular structure of Hg{C=CC=C[Ru(dppe)Cp*]}2 - non-linearity in a molecular rod

M.I. Bruce; J-F. Halet; B. Le Guennic; Brian Skelton; M.E. Smith; Allan White

doi:10.1016/S0020-1693(02)01543-8

Preparation and molecular structure of Hg{C=CC=C[Ru(dppe)Cp*]}2 - non-linearity in a molecular rod

M.I. Bruce, J-F. Halet, B. Le Guennic, Brian Skelton, M.E. Smith, Allan White

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

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Abstract

The preparations of Hg{C6-point triple bond; length half of m-dashCC6-point triple bond; length half of m-dashC[Ru(PR3)2Cp′]}2 [(PR3)2=dppe, Cp′=Cp*, 1; PR3=PPh3, Cp′=Cp, 2] are reported and the molecular structure of 1 is described. Following the observation of an unusually large bending at the carbon atoms attached to mercury [C(3)---C(4)---Hg 166.5(3)°]. DFT calculations were employed to probe its electronic structure. The system exhibits a closed-shell electronic configuration and the bending must be ascribed to low-energy lattice forces.

Original language	English
Pages (from-to)	175-181
Journal	Inorganica Chimica Acta
Volume	350
Issue number	4
DOIs	https://doi.org/10.1016/S0020-1693(02)01543-8
Publication status	Published - 2003

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title = "Preparation and molecular structure of Hg{C=CC=C[Ru(dppe)Cp*]}2 - non-linearity in a molecular rod",

abstract = "The preparations of Hg{C6-point triple bond; length half of m-dashCC6-point triple bond; length half of m-dashC[Ru(PR3)2Cp′]}2 [(PR3)2=dppe, Cp′=Cp*, 1; PR3=PPh3, Cp′=Cp, 2] are reported and the molecular structure of 1 is described. Following the observation of an unusually large bending at the carbon atoms attached to mercury [C(3)---C(4)---Hg 166.5(3)°]. DFT calculations were employed to probe its electronic structure. The system exhibits a closed-shell electronic configuration and the bending must be ascribed to low-energy lattice forces.",

author = "M.I. Bruce and J-F. Halet and {Le Guennic}, B. and Brian Skelton and M.E. Smith and Allan White",

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doi = "10.1016/S0020-1693(02)01543-8",

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pages = "175--181",

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TY - JOUR

T1 - Preparation and molecular structure of Hg{C=CC=C[Ru(dppe)Cp*]}2 - non-linearity in a molecular rod

AU - Bruce, M.I.

AU - Halet, J-F.

AU - Le Guennic, B.

AU - Skelton, Brian

AU - Smith, M.E.

AU - White, Allan

PY - 2003

Y1 - 2003

N2 - The preparations of Hg{C6-point triple bond; length half of m-dashCC6-point triple bond; length half of m-dashC[Ru(PR3)2Cp′]}2 [(PR3)2=dppe, Cp′=Cp*, 1; PR3=PPh3, Cp′=Cp, 2] are reported and the molecular structure of 1 is described. Following the observation of an unusually large bending at the carbon atoms attached to mercury [C(3)---C(4)---Hg 166.5(3)°]. DFT calculations were employed to probe its electronic structure. The system exhibits a closed-shell electronic configuration and the bending must be ascribed to low-energy lattice forces.

AB - The preparations of Hg{C6-point triple bond; length half of m-dashCC6-point triple bond; length half of m-dashC[Ru(PR3)2Cp′]}2 [(PR3)2=dppe, Cp′=Cp*, 1; PR3=PPh3, Cp′=Cp, 2] are reported and the molecular structure of 1 is described. Following the observation of an unusually large bending at the carbon atoms attached to mercury [C(3)---C(4)---Hg 166.5(3)°]. DFT calculations were employed to probe its electronic structure. The system exhibits a closed-shell electronic configuration and the bending must be ascribed to low-energy lattice forces.

U2 - 10.1016/S0020-1693(02)01543-8

DO - 10.1016/S0020-1693(02)01543-8

M3 - Article

SN - 0020-1693

VL - 350

SP - 175

EP - 181

JO - Inorganica Chimica Acta

JF - Inorganica Chimica Acta

IS - 4

ER -

Preparation and molecular structure of Hg{C=CC=C[Ru(dppe)Cp*]}2 - non-linearity in a molecular rod

Abstract

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