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Issue 2, 2000
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Ligand dissociation accelerated by spin state change: locating the minimum energy crossing point for phosphine exchange in CpMoCl2(PR3)2 complexes

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Abstract

The minimum energy crossing point between the doublet and quartet potential energy surfaces of CpMoCl2(PH3)2 is calculated to lie 4.8 kcal mol−1 lower in energy than the doublet dissociative intermediate CpMoCl2(PH3). Implications for the influence of spin state changes on the rates of organometallic reactions are discussed.

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Publication details

The article was received on 03 Dec 1999, accepted on 09 Dec 1999 and first published on 07 Feb 2000


Article type: Letter
DOI: 10.1039/A909646I
New J. Chem., 2000,24, 77-80

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    Ligand dissociation accelerated by spin state change: locating the minimum energy crossing point for phosphine exchange in CpMoCl2(PR3)2 complexes

    K. M. Smith, R. Poli and J. N. Harvey, New J. Chem., 2000, 24, 77
    DOI: 10.1039/A909646I

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