Computational characterization of the mechanism for the light-driven catalytic trichloromethylation of acylpyridines
Author:
Affiliation:
1. Institute of Chemical Research of Catalonia
2. The Barcelona Institute for Science and Technology
3. Tarragona 43007
4. Spain
5. Departament de Química
Abstract
DFT and DFT/MM calculations are applied to a photocatalytic enantioselective reaction and shown to be able to characterize the mechanism.
Funder
Generalitat de Catalunya
Ministerio de Economía y Competitividad
Publisher
Royal Society of Chemistry (RSC)
Subject
Organic Chemistry,Physical and Theoretical Chemistry,Biochemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2017/OB/C7OB01826F
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4. Synthesis of enantiomerically pure (S)-3-trichloromethylbutyric acid via asymmetric conjugate addition of trichloromethyl metal compounds to a chiral enoate. Activation effect of a sulfonylamino group
5. Synthetic Studies of Trichloroleucine Marine Natural Products. Michael Addition of LiCCl3 to N-Crotonylcamphor Sultam
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