PCP)IrH 2 efficiently catalyzes the "acceptorless" dehydrogenation of alkanes. The key step in the reaction cycle is calculated (DFT/B3LYP) to be dissociative loss of H 2 to afford an Ir(I) intermediate; this conclusion is supported by experimental results.
β¦ LIBER β¦
On the Mechanism of (PCP)Ir-Catalyzed Acceptorless Dehydrogenation of Alkanes: A Combined Computational and Experimental Study
β Scribed by Krogh-Jespersen, Karsten; Czerw, Margaret; Summa, Nadine; Renkema, Kenton B.; Achord, Patrick D.; Goldman, Alan S.
- Book ID
- 126051680
- Publisher
- American Chemical Society
- Year
- 2002
- Tongue
- English
- Weight
- 205 KB
- Volume
- 124
- Category
- Article
- ISSN
- 0002-7863
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
Computational and experimental studies o
β
Karsten Krogh-Jespersen; Margaret Czerw; Alan S. Goldman
π
Article
π
2002
π
Elsevier Science
π
English
β 297 KB
The Mechanism of the (Bispidine)copper(I
β
Peter Comba; Carolin Lang; Carlos Lopez de Laorden; Amsaveni Muruganantham; Gopa
π
Article
π
2008
π
John Wiley and Sons
π
English
β 623 KB
On the Mechanism and Stereoselectivity o
β
Michael BΓΌhl; Frank Terstegen; Frank LΓΆffler; Bernd Meynhardt; Stefanie Kierse;
π
Article
π
2001
π
John Wiley and Sons
π
English
β 420 KB
π 2 views
The mechanism of copper(I)-catalyzed olefin cyclopropanation with diazomethanes has been studied at the BP86/AE1 level of density-functional theory. For the model system Cu(diazabutadiene) + + ethene + diazomethane, copper carbene complexes are confirmed as viable intermediates, with rate-determinin
Unraveling the Energy Transduction Mecha
β
Yang, Yang; Hu, Xiao
π
Article
π
2014
π
Biophysical Society
π
English
β 43 KB
Combined Computational and Experimental
β
Krogh-Jespersen, Karsten; Czerw, Margaret; Zhu, Keming; Singh, Bharat; Kanzelber
π
Article
π
2002
π
American Chemical Society
π
English
β 184 KB
Effect of Strain on the Photoisomerizati
β
Bassotti, Elisa; Carbone, Paola; Credi, Alberto; Di Stefano, Marco; Masiero, Ste
π
Article
π
2006
π
American Chemical Society
π
English
β 425 KB