The enantioselectivity in asymmetric ketone hydrogenation catalyzed by RuH2(diphosphine)(diamine) complexes: insights from a 3D-QSSR and DFT study
Author:
Affiliation:
1. State Key Laboratory of Chemical Resource Engineering
2. Institute of Materia Medica
3. College of Science
4. Beijing University of Chemical Technology
5. Beijing
Abstract
The 3D-QSSR method was carried out to investigate the enantioselectivity of the asymmetric ketone hydrogenation (AKH) catalyzed by RuH2(diphosphine)(diamine) complexes integrating with DFT method, which could provide a way to design homogeneous transition-metal catalysts.
Publisher
Royal Society of Chemistry (RSC)
Subject
Catalysis
Link
http://pubs.rsc.org/en/content/articlepdf/2016/CY/C5CY01225B
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