The mechanism of an asymmetric ring-opening reaction of epoxide with amine catalyzed by a metal–organic framework: insights from combined quantum mechanics and molecular mechanics calculations-Reference-Cited by-同舟云学术

The mechanism of an asymmetric ring-opening reaction of epoxide with amine catalyzed by a metal–organic framework: insights from combined quantum mechanics and molecular mechanics calculations

Published:2017 Issue:11 Volume:46 Page:3470-3481
ISSN:1477-9226
Container-title:Dalton Transactions
language:en
Short-container-title:Dalton Trans.

Author:

Doitomi Kazuki¹²³⁴⁵,Xu Kai¹²³⁴⁵,Hirao Hajime¹²³⁴⁵^ORCID

Affiliation:

1. Department of Biology and Chemistry

2. City University of Hong Kong

3. Kowloon Tong

4. China

5. Division of Chemistry and Biological Chemistry

Abstract

QM/MM computations suggest that the asymmetric ring-opening reaction of epoxide with amine is controlled by CH–π interactions between aniline and a naphthol moiety.

Funder

Japan Science and Technology Agency

Publisher

Royal Society of Chemistry (RSC)

Subject

Inorganic Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2017/DT/C6DT04745A

Reference100 articles.

1. Functional Porous Coordination Polymers

2. Chemistry of coordination space of porous coordination polymers

3. Coupled synthesis and self-assembly of nanoparticles to give structures with controlled organization