Conformational analysis of the iron acetyl complex [(η5-C5H5)Fe(CO)(PPh3)CO CH3]

Stephen G. Davies; Jeffrey I. Seeman; Ian H. Williams

doi:10.1016/S0040-4039(00)84056-3

Conformational analysis of the iron acetyl complex [(η⁵-C₅H₅)Fe(CO)(PPh₃)CO CH₃]

Stephen G. Davies, Jeffrey I. Seeman, Ian H. Williams

Department of Chemistry

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

Abstract

A conformational analysis for the complex [(ν⁵-C₅H₅)Fe(CO)(PPh₃)COC H₃] based on extended Huckel and ab initio SCF MO calculations is described which indicates that the conformational preference for the acyl oxygen is approximately anti periplanar to CO due to steric interactions between the acyl llgand and two of the phenyl groups of the triphenylphosphine.

Original language	English
Pages (from-to)	619-622
Number of pages	4
Journal	Tetrahedron Letters
Volume	27
Issue number	5
DOIs	https://doi.org/10.1016/S0040-4039(00)84056-3
Publication status	Published - 1 Jan 1986

ASJC Scopus subject areas

Biochemistry
Drug Discovery
Organic Chemistry

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10.1016/S0040-4039(00)84056-3

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title = "Conformational analysis of the iron acetyl complex [(η5-C5H5)Fe(CO)(PPh3)CO CH3]",

abstract = "A conformational analysis for the complex [(ν5-C5H5)Fe(CO)(PPh3)COC H3] based on extended Huckel and ab initio SCF MO calculations is described which indicates that the conformational preference for the acyl oxygen is approximately anti periplanar to CO due to steric interactions between the acyl llgand and two of the phenyl groups of the triphenylphosphine.",

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N2 - A conformational analysis for the complex [(ν5-C5H5)Fe(CO)(PPh3)COC H3] based on extended Huckel and ab initio SCF MO calculations is described which indicates that the conformational preference for the acyl oxygen is approximately anti periplanar to CO due to steric interactions between the acyl llgand and two of the phenyl groups of the triphenylphosphine.

AB - A conformational analysis for the complex [(ν5-C5H5)Fe(CO)(PPh3)COC H3] based on extended Huckel and ab initio SCF MO calculations is described which indicates that the conformational preference for the acyl oxygen is approximately anti periplanar to CO due to steric interactions between the acyl llgand and two of the phenyl groups of the triphenylphosphine.

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U2 - 10.1016/S0040-4039(00)84056-3

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Conformational analysis of the iron acetyl complex [(η⁵-C₅H₅)Fe(CO)(PPh₃)CO CH₃]

Abstract

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