A Theoretical Study of the Primary Oxo Transfer Reaction of a Dioxo Molybdenum(VI) Compound with Imine Thiolate Chelating Ligands:  A Molybdenum Oxotransferase Analogue

The reaction mechanism of an analogue system of the molybdenum oxotransferases was investigated at the density functional (B3P86) level of theory. Kinetic measurements by Schultz and Holm suggest that the reaction MoO2(t-BuL-NS)2 + X → MoO(t-BuL-NS)2 + OX (t-BuL-NS = bis(4-tert-butylphenyl)-2-pyridy...

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Veröffentlicht in:	Journal of the American Chemical Society 2001-05, Vol.123 (17), p.3995-4002
Hauptverfasser:	Thomson, Lisa M, Hall, Michael B
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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