Density functional studies of catalytic
✍
Hua-Jun Fan; Michael B. Hall
📂
Article
📅
2002
🏛
Elsevier Science
🌐
English
⚖ 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