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Theoretical Studies of Inorganic and Organometallic Reaction Mechanisms. 15. Catalytic Alkane Dehydrogenation by Iridium(III) Complexes

✍ Scribed by Niu, Shuqiang; Hall, Michael B.


Book ID
120298675
Publisher
American Chemical Society
Year
1999
Tongue
English
Weight
360 KB
Volume
121
Category
Article
ISSN
0002-7863

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Density functional studies of catalytic
✍ Hua-Jun Fan; Michael B. Hall πŸ“‚ Article πŸ“… 2002 πŸ› Elsevier Science 🌐 English βš– 177 KB

Density functional calculations have been applied to models of both transfer and acceptorless alkane dehydrogenation for the iridium(III) pincer complex, ( R PCP)IrH 2 ( R PCP= 3 -C 6 H 3 (CH 2 PR 2 ) 2 -1,3). The iridium pincer complex is the first efficient homogeneous catalyst that does not requi