Hydrocarbon Oxidation by High-Valent Group 6 Oxides

Anthony K. Rappé; William A. Goddard

doi:10.1021/ja00376a006

Hydrocarbon Oxidation by High-Valent Group 6 Oxides

Anthony K. Rappé
, William A. Goddard

California Institute of Technology
Colorado State University

Résultats de recherche: Contribution à un journal › Article › Revue par des pairs

Résumé

The results of a mechanistic study using ab initio theoretical methods are used to outline plausible mechanistic sequences for alkane, alcohol, and alkene oxidation by chromyl and molybdyl chlorides. We suggest that the second oxo group is intimately involved in the reaction sequence. This spectator oxo group is suggested to play a central role in stabilizing critical intermediates in these reactions and may be important in other oxidation reactions of metal oxides (MnO₄²⁻, OsO₄, RuO₄, and supported transition metal oxides).

langue originale	Anglais
Pages (de - à)	3287-3294
Nombre de pages	8
journal	Journal of the American Chemical Society
Volume	104
Numéro de publication	12
Les DOIs	https://doi.org/10.1021/ja00376a006
état	Publié - 1 janv. 1982
Modification externe	Oui

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10.1021/ja00376a006

Contient cette citation

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title = "Hydrocarbon Oxidation by High-Valent Group 6 Oxides",

abstract = "The results of a mechanistic study using ab initio theoretical methods are used to outline plausible mechanistic sequences for alkane, alcohol, and alkene oxidation by chromyl and molybdyl chlorides. We suggest that the second oxo group is intimately involved in the reaction sequence. This spectator oxo group is suggested to play a central role in stabilizing critical intermediates in these reactions and may be important in other oxidation reactions of metal oxides (MnO42−, OsO4, RuO4, and supported transition metal oxides).",

author = "Rapp{\'e}, \{Anthony K.\} and Goddard, \{William A.\}",

year = "1982",

month = jan,

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doi = "10.1021/ja00376a006",

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journal = "Journal of the American Chemical Society",

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AU - Rappé, Anthony K.

AU - Goddard, William A.

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N2 - The results of a mechanistic study using ab initio theoretical methods are used to outline plausible mechanistic sequences for alkane, alcohol, and alkene oxidation by chromyl and molybdyl chlorides. We suggest that the second oxo group is intimately involved in the reaction sequence. This spectator oxo group is suggested to play a central role in stabilizing critical intermediates in these reactions and may be important in other oxidation reactions of metal oxides (MnO42−, OsO4, RuO4, and supported transition metal oxides).

AB - The results of a mechanistic study using ab initio theoretical methods are used to outline plausible mechanistic sequences for alkane, alcohol, and alkene oxidation by chromyl and molybdyl chlorides. We suggest that the second oxo group is intimately involved in the reaction sequence. This spectator oxo group is suggested to play a central role in stabilizing critical intermediates in these reactions and may be important in other oxidation reactions of metal oxides (MnO42−, OsO4, RuO4, and supported transition metal oxides).

U2 - 10.1021/ja00376a006

DO - 10.1021/ja00376a006

M3 - Article

AN - SCOPUS:33845553689

SN - 0002-7863

VL - 104

SP - 3287

EP - 3294

JO - Journal of the American Chemical Society

JF - Journal of the American Chemical Society

IS - 12

ER -

Hydrocarbon Oxidation by High-Valent Group 6 Oxides

Résumé

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