The enantioselectivity in asymmetric ketone hydrogenation catalyzed by RuH2(diphosphine)(diamine) complexes: insights from a 3D-QSSR and DFT study

Author:

Li Longfei12345,Pan Yuhui12345,Lei Ming12345

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

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