𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Computational and experimental studies of the mechanism of (PCP)Ir-catalyzed acceptorless dehydrogenation of alkanes

✍ Scribed by Karsten Krogh-Jespersen; Margaret Czerw; Alan S. Goldman

Book ID
104421978
Publisher
Elsevier Science
Year
2002
Tongue
English
Weight
297 KB
Volume
189
Category
Article
ISSN
1381-1169

No coin nor oath required. For personal study only.

✦ Synopsis

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.

πŸ“œ SIMILAR VOLUMES

The Mechanism of Catalytic Enantioselect
The Mechanism of Catalytic Enantioselective Fluorination: Computational and Experimental Studies
✍ Stefano Piana; Ingrid Devillers; Antonio Togni; Ursula Rothlisberger πŸ“‚ Article πŸ“… 2002 πŸ› John Wiley and Sons 🌐 English βš– 129 KB πŸ‘ 2 views

Despite the undisputed importance of organofluorine compounds, for example, in biomedical applications, the generation of fluorinated carbon stereocenters by CΓ€F bond-forming reactions remains rare and particularly challenging. [1, 2] Recently, the first catalytic, enantioselective fluorination of b