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Issue 1, 2011
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Synthesis and structural characterization of group 6 transition metal complexes with terminal fluoromethylidyne (CF) ligands; a DFT/NBO/NRT comparison of bonding characteristics of terminal NO, CF and CH ligands

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Abstract

A family of group 6 transition metal complexes M(C5R5)(CO)2(CF) [M = Cr, Mo, W; R = H, Me] with terminal fluoromethylidyne ligands have been synthesized through the reduction of the corresponding trifluoromethyl precursors with potassium graphite or magnesium graphite. They have been characterized spectroscopically and in some cases crystallographically, although the structures show disorder between the CO and CF ligands. The M[triple bond, length as m-dash]CF subunit reacts as a triple bond to form cluster complexes containing μ3-CF ligands on reaction with Co2(CO)8. Computational (DFT/NBO/NRT) studies on M(C5H5)(CO)2(CF) [M = Cr, Mo, W] and the corresponding cationic fragments M(CO)2(XY)+ illustrate significant differences in the metal–ligand bonding between CF and its isoelectronic analogue NO, as well as with its hydrocarbon analogue CH.

Graphical abstract: Synthesis and structural characterization of group 6 transition metal complexes with terminal fluoromethylidyne (CF) ligands; a DFT/NBO/NRT comparison of bonding characteristics of terminal NO, CF and CH ligands

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Publication details

The article was received on 12 Aug 2010, accepted on 16 Sep 2010 and first published on 17 Nov 2010


Article type: Paper
DOI: 10.1039/C0DT01006E
Citation: Dalton Trans., 2011,40, 47-55
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    Synthesis and structural characterization of group 6 transition metal complexes with terminal fluoromethylidyne (CF) ligands; a DFT/NBO/NRT comparison of bonding characteristics of terminal NO, CF and CH ligands

    H. Huang, R. P. Hughes and A. L. Rheingold, Dalton Trans., 2011, 40, 47
    DOI: 10.1039/C0DT01006E

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