Synthesis, molecular and electronic structure of Os3(CO)10(μ2-η3-C3H5)(AuPEt3): a triosmium cluster exhibiting an allyl ligand with a novel mode of coordination

Catherine E. Housecroft; Brian F. G. Johnson; Jack Lewis; Julie A. Lunniss; Steven M. Owen; Paul R. Raithby

doi:10.1016/0022-328X(91)86153-H

Synthesis, molecular and electronic structure of Os₃(CO)₁₀(μ₂-η³-C₃H₅)(AuPEt₃): a triosmium cluster exhibiting an allyl ligand with a novel mode of coordination

Catherine E. Housecroft, Brian F. G. Johnson, Jack Lewis, Julie A. Lunniss, Steven M. Owen, Paul R. Raithby

University of Cambridge

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

Abstract

The synthesis and characterisation of a new triosmium cluster, Os₃(CO)₁₀(μ₂-η³-C₃H₅)(AuPEt₃) (1) are reported. The cluster is formed most efficiently by the deprotonation of HOs₃(CO)₁₀(HCCHMe) followed by reaction with Et₃PAuCl, a step that stabilises the anion [Os₃(CO)₁₀(μ₂-η³-C₃H₅)]^-. This anion is also the product of the reaction between the cluster anion [HOs₃(CO)₁₁]^- and 1propyne. The molecular structure of 1 has been determined. The allylic moiety bridges one OsOs edge of the triosmium triangular cluster core in a μ₂-η³ fashion. The electronic structure of 1 has been investigated by the FenskeHall quantum chemical technique; the results illustrate the primary involvement of the allyl nonbonding MO and have been used to suggest possible orientations for the allylic hydrogen atoms.

Original language	English
Pages (from-to)	271-284
Number of pages	14
Journal	Journal of Organometallic Chemistry
Volume	409
Issue number	1-2
DOIs	https://doi.org/10.1016/0022-328X(91)86153-H
Publication status	Published - 28 May 1991

Funding

C.E.H. wishes to acknowledge the Royal Society for a 1983 University Fellowship. The Canadian Government is thanked for support (to J.A.L.)

Funders	Funder number
Royal Society

ASJC Scopus subject areas

Biochemistry
Physical and Theoretical Chemistry
Organic Chemistry
Inorganic Chemistry
Materials Chemistry

Access to Document

10.1016/0022-328X(91)86153-H

Cite this

Synthesis, molecular and electronic structure of Os₃(CO)₁₀(μ₂-η³-C₃H₅)(AuPEt₃): a triosmium cluster exhibiting an allyl ligand with a novel mode of coordination. / Housecroft, Catherine E.; Johnson, Brian F. G.; Lewis, Jack et al.
In: Journal of Organometallic Chemistry, Vol. 409, No. 1-2, 28.05.1991, p. 271-284.

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

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title = "Synthesis, molecular and electronic structure of Os3(CO)10(μ2-η3-C3H5)(AuPEt3): a triosmium cluster exhibiting an allyl ligand with a novel mode of coordination",

abstract = "The synthesis and characterisation of a new triosmium cluster, Os3(CO)10(μ2-η3-C3H5)(AuPEt3) (1) are reported. The cluster is formed most efficiently by the deprotonation of HOs3(CO)10(HCCHMe) followed by reaction with Et3PAuCl, a step that stabilises the anion [Os3(CO)10(μ2-η3-C3H5)]-. This anion is also the product of the reaction between the cluster anion [HOs3(CO)11]- and 1propyne. The molecular structure of 1 has been determined. The allylic moiety bridges one OsOs edge of the triosmium triangular cluster core in a μ2-η3 fashion. The electronic structure of 1 has been investigated by the FenskeHall quantum chemical technique; the results illustrate the primary involvement of the allyl nonbonding MO and have been used to suggest possible orientations for the allylic hydrogen atoms.",

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AU - Johnson, Brian F. G.

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AU - Raithby, Paul R.

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N2 - The synthesis and characterisation of a new triosmium cluster, Os3(CO)10(μ2-η3-C3H5)(AuPEt3) (1) are reported. The cluster is formed most efficiently by the deprotonation of HOs3(CO)10(HCCHMe) followed by reaction with Et3PAuCl, a step that stabilises the anion [Os3(CO)10(μ2-η3-C3H5)]-. This anion is also the product of the reaction between the cluster anion [HOs3(CO)11]- and 1propyne. The molecular structure of 1 has been determined. The allylic moiety bridges one OsOs edge of the triosmium triangular cluster core in a μ2-η3 fashion. The electronic structure of 1 has been investigated by the FenskeHall quantum chemical technique; the results illustrate the primary involvement of the allyl nonbonding MO and have been used to suggest possible orientations for the allylic hydrogen atoms.

AB - The synthesis and characterisation of a new triosmium cluster, Os3(CO)10(μ2-η3-C3H5)(AuPEt3) (1) are reported. The cluster is formed most efficiently by the deprotonation of HOs3(CO)10(HCCHMe) followed by reaction with Et3PAuCl, a step that stabilises the anion [Os3(CO)10(μ2-η3-C3H5)]-. This anion is also the product of the reaction between the cluster anion [HOs3(CO)11]- and 1propyne. The molecular structure of 1 has been determined. The allylic moiety bridges one OsOs edge of the triosmium triangular cluster core in a μ2-η3 fashion. The electronic structure of 1 has been investigated by the FenskeHall quantum chemical technique; the results illustrate the primary involvement of the allyl nonbonding MO and have been used to suggest possible orientations for the allylic hydrogen atoms.

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