Investigating the role of halogen-bonded complexes in microsolvated Y−(H2O)n + CH3I SN2 reactions-Reference-Cited by-同舟云学术

Investigating the role of halogen-bonded complexes in microsolvated Y−(H2O)n + CH3I SN2 reactions

Published:2021 Issue:11 Volume:23 Page:6349-6360
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Ji Xiaoyan¹²³⁴⁵^ORCID,Zhao Chongyang¹²³⁴⁵^ORCID,Xie Jing¹²³⁴⁵^ORCID

Affiliation:

1. Key Laboratory of Cluster Science of Ministry of Education

2. School of Chemistry and Chemical Engineering

3. Beijing Institute of Technology

4. Beijing 100081

5. China

Abstract

A halogen-bonded complex pathway is computed for Y⁻(H₂O)_n + CH₃I (Y = HO, F, Cl, Br, and I) ion–molecule nucleophilic substitution reactions and is compared with back-side and front-side attack pathways.

Funder

National Natural Science Foundation of China

Beijing Institute of Technology

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2021/CP/D0CP06299E

Reference60 articles.

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4. Not So Simple

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