| Literature DB >> 24684701 |
Xuan Ye1, Philipp N Plessow, Marion K Brinks, Mathias Schelwies, Thomas Schaub, Frank Rominger, Rocco Paciello, Michael Limbach, Peter Hofmann.
Abstract
The mechanistic course of the amination of alcohols with ammonia catalyzed by a structurally modified congener of Milstein's well-defined acridine-based PNP-pincer Ru complex has been investigated both experimentally and by DFT calculations. Several key Ru intermediates have been isolated and characterized. The detailed analysis of a series of possible catalytic pathways (e.g., with and without metal-ligand cooperation, inner- and outer-sphere mechanisms) leads us to conclude that the most favorable pathway for this catalyst does not require metal-ligand cooperation.Entities:
Year: 2014 PMID: 24684701 DOI: 10.1021/ja409368a
Source DB: PubMed Journal: J Am Chem Soc ISSN: 0002-7863 Impact factor: 15.419