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Communication

Isolation, Characterization of an Intermediate in an Oxygen Atom-Transfer Reaction, and the Determination of the Bond Dissociation Energy

Supporting Info

Victor N. Nemykin,^† Julia Laskin,*^‡ and Partha Basu*^†;

Department of Chemistry and Biochemistry, Duquesne University, Pittsburgh, Pennsylvania 15282, and Chemical Sciences Division, Pacific Northwest National Laboratory, Richland, Washington 99352

J. Am. Chem. Soc., 2004, 126 (28), pp 8604–8605

DOI: 10.1021/ja049121f

Publication Date (Web): June 24, 2004

†

Duquesne University.

In papers with more than one author, the asterisk indicates the name of the author to whom inquiries about the paper should be addressed.

‡

Pacific Northwest National Laboratory.

basu@duq.edu; Julia.Laskin@pnl.gov

Abstract

The synthesis and structure of a phosphine oxide-bound intermediate molecule originating from a dioxo−molybdenum(VI) complex is described. The loss of phosphine oxide has been followed by surface-induced dissociation mass spectrometry that gave the bond dissociation energy of 29.5 (± 3.5) kcal/mol. Considering the bond dissociation energy for a MoO bond to be 100 kcal/mol, this value suggests that the primary driving force for the reaction is the formation of the intermediate complex.