Uncovering an oxide ion substitution for the OH− + CH3F reaction-Reference-Cited by-同舟云学术

Uncovering an oxide ion substitution for the OH− + CH3F reaction

Published:2021 Issue:43 Volume:12 Page:14369-14375
ISSN:2041-6520
Container-title:Chemical Science
language:en
Short-container-title:Chem. Sci.

Author:

Tasi Domonkos A.¹^ORCID,Czakó Gábor¹^ORCID

Affiliation:

1. MTA-SZTE Lendület Computational Reaction Dynamics Research Group, Interdisciplinary Excellence Centre, Department of Physical Chemistry and Materials Science, Institute of Chemistry, University of Szeged, Rerrich Béla tér 1, Szeged H-6720, Hungary

Abstract

Reaction dynamics simulations on a high-level ab initio analytical potential energy surface reveal a novel oxide ion substitution channel for the OH− + CH3F reaction.

Funder

Nemzeti Kutatási Fejlesztési és Innovációs Hivatal

Emberi Eroforrások Minisztériuma

Magyar Tudományos Akadémia

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2021/SC/D1SC03834F

Reference38 articles.

1. 257. Reaction kinetics and the Walden inversion. Part VI. Relation of steric orientation to mechanism in substitutions involving halogen atoms and simple or substituted hydroxyl groups