确定 CH···O 相互作用中的 H/D 同位素效应是否可以控制反应选择性。

Determining if Reaction Selectivity Can Be Controlled by the H/D Isotope Effect in CH···O Interactions.

机构信息

Department of Chemistry and Biomolecular Science, Faculty of Engineering, Gifu University, Yanagido 1-1, Gifu 501-1193, Japan.

Graduate School of NanobioScience, Yokohama City University, Yokohama 236-0027, Japan.

出版信息

Org Lett. 2020 Dec 18;22(24):9439-9443. doi: 10.1021/acs.orglett.0c03351. Epub 2020 Nov 9.

DOI:10.1021/acs.orglett.0c03351

PMID:33167609

Abstract

The H/D isotope effect in the CH···O interactions of several systems is systematically analyzed to determine whether it exerts control over reaction selectivity. Our theoretical study demonstrates that deuterium substitution has a negligible effect on CH···O interactions; thus, reaction selectivity likely cannot be controlled by the H/D isotope effect in these CH···O interactions.

摘要

系统地分析了几个体系中 CH···O 相互作用的 H/D 同位素效应，以确定它是否对反应选择性起控制作用。我们的理论研究表明氘取代对 CH···O 相互作用的影响可以忽略不计；因此，这些 CH···O 相互作用中的 H/D 同位素效应不太可能控制反应选择性。