An X-ray crystal and electronic structural investigation of the interstitial phosphide cluster [Os6(CO)18PCl]

Stephen B. Colbran; Catherine E. Housecroft; Brian F.G. Johnson; Jack Lewis; Steven M. Owen; Paul R. Raithby

doi:10.1016/S0277-5387(00)80408-8

An X-ray crystal and electronic structural investigation of the interstitial phosphide cluster [Os₆(CO)₁₈PCl]

Stephen B. Colbran, Catherine E. Housecroft, Brian F.G. Johnson, Jack Lewis, Steven M. Owen, Paul R. Raithby

University of Cambridge

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

Abstract

The molecular structure of [Os₆(CO)₁₈PCl] is presented. The phosphorus atom is interstitially sited within a distorted trigonal prismatic array of osmium atoms. The chlorine atom bridges one edge of a triangular face of the Os₆cage. A comparison is made between the structures Of [Os₆(CO)₁₈PCl] and its parent compound, [OS₆(CO)₁₈P]^-. By using the model compounds [Ru₆(CO)₁₈P]^- and Ru₆(CO)₁₈PCl, the Fenske-Hall quantum chemical technique is used to investigate the mode of bonding of the phosphorus atom in [Os₆(CO)₁₈P]^-. In Ru₆(CO)₁₈PCl, the interaction of the tangential orbital of the chlorine atom with the ruthenium-ruthenium antibonding LUMO of [Ru₆(CO)₁₈P]^- is the primary interfragment interaction; this results in Ru₆(CO)₁₈PCl, and by analogy [Os₆(CO)₁₈PCl], being a 92 electron cluster in contrast to [Os₆(CO)₁₈P] ^- which is a 90 electron cluster.

Original language	English
Pages (from-to)	1759-1765
Number of pages	7
Journal	Polyhedron
Volume	7
Issue number	18
DOIs	https://doi.org/10.1016/S0277-5387(00)80408-8
Publication status	Published - 1988

ASJC Scopus subject areas

Physical and Theoretical Chemistry
Inorganic Chemistry
Materials Chemistry

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title = "An X-ray crystal and electronic structural investigation of the interstitial phosphide cluster [Os6(CO)18PCl]",

abstract = "The molecular structure of [Os6(CO)18PCl] is presented. The phosphorus atom is interstitially sited within a distorted trigonal prismatic array of osmium atoms. The chlorine atom bridges one edge of a triangular face of the Os6cage. A comparison is made between the structures Of [Os6(CO)18PCl] and its parent compound, [OS6(CO)18P]-. By using the model compounds [Ru6(CO)18P]- and Ru6(CO)18PCl, the Fenske-Hall quantum chemical technique is used to investigate the mode of bonding of the phosphorus atom in [Os6(CO)18P]-. In Ru6(CO)18PCl, the interaction of the tangential orbital of the chlorine atom with the ruthenium-ruthenium antibonding LUMO of [Ru6(CO)18P]- is the primary interfragment interaction; this results in Ru6(CO)18PCl, and by analogy [Os6(CO)18PCl], being a 92 electron cluster in contrast to [Os6(CO)18P] - which is a 90 electron cluster.",

author = "Colbran, \{Stephen B.\} and Housecroft, \{Catherine E.\} and Johnson, \{Brian F.G.\} and Jack Lewis and Owen, \{Steven M.\} and Raithby, \{Paul R.\}",

year = "1988",

doi = "10.1016/S0277-5387(00)80408-8",

language = "English",

volume = "7",

pages = "1759--1765",

journal = "Polyhedron",

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T1 - An X-ray crystal and electronic structural investigation of the interstitial phosphide cluster [Os6(CO)18PCl]

AU - Colbran, Stephen B.

AU - Housecroft, Catherine E.

AU - Johnson, Brian F.G.

AU - Lewis, Jack

AU - Owen, Steven M.

AU - Raithby, Paul R.

PY - 1988

Y1 - 1988

N2 - The molecular structure of [Os6(CO)18PCl] is presented. The phosphorus atom is interstitially sited within a distorted trigonal prismatic array of osmium atoms. The chlorine atom bridges one edge of a triangular face of the Os6cage. A comparison is made between the structures Of [Os6(CO)18PCl] and its parent compound, [OS6(CO)18P]-. By using the model compounds [Ru6(CO)18P]- and Ru6(CO)18PCl, the Fenske-Hall quantum chemical technique is used to investigate the mode of bonding of the phosphorus atom in [Os6(CO)18P]-. In Ru6(CO)18PCl, the interaction of the tangential orbital of the chlorine atom with the ruthenium-ruthenium antibonding LUMO of [Ru6(CO)18P]- is the primary interfragment interaction; this results in Ru6(CO)18PCl, and by analogy [Os6(CO)18PCl], being a 92 electron cluster in contrast to [Os6(CO)18P] - which is a 90 electron cluster.

AB - The molecular structure of [Os6(CO)18PCl] is presented. The phosphorus atom is interstitially sited within a distorted trigonal prismatic array of osmium atoms. The chlorine atom bridges one edge of a triangular face of the Os6cage. A comparison is made between the structures Of [Os6(CO)18PCl] and its parent compound, [OS6(CO)18P]-. By using the model compounds [Ru6(CO)18P]- and Ru6(CO)18PCl, the Fenske-Hall quantum chemical technique is used to investigate the mode of bonding of the phosphorus atom in [Os6(CO)18P]-. In Ru6(CO)18PCl, the interaction of the tangential orbital of the chlorine atom with the ruthenium-ruthenium antibonding LUMO of [Ru6(CO)18P]- is the primary interfragment interaction; this results in Ru6(CO)18PCl, and by analogy [Os6(CO)18PCl], being a 92 electron cluster in contrast to [Os6(CO)18P] - which is a 90 electron cluster.

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U2 - 10.1016/S0277-5387(00)80408-8

DO - 10.1016/S0277-5387(00)80408-8

M3 - Article

AN - SCOPUS:17444416934

SN - 0277-5387

VL - 7

SP - 1759

EP - 1765

JO - Polyhedron

JF - Polyhedron

IS - 18

ER -

An X-ray crystal and electronic structural investigation of the interstitial phosphide cluster [Os₆(CO)₁₈PCl]

Abstract

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