Nucleophile Effects on the E2/SN2 Competition for the X– + CH3CH2Cl Reactions: A Theoretical Study-Reference-Cited by-同舟云学术

Nucleophile Effects on the E2/S_N2 Competition for the X^– + CH₃CH₂Cl Reactions: A Theoretical Study

Published:2023-04-11 Issue:15 Volume:127 Page:3381-3389
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Zhao Siwei¹,Fu Gang¹,Zhen Wenqing¹,Wang Hongyi¹,Liu Meiling¹,Yang Li¹^ORCID,Zhang Jiaxu¹^ORCID

Affiliation:

1. MIIT Key Laboratory of Critical Materials Technology for New Energy Conversion and Storage, School of Chemistry and Chemical Engineering, State Key Lab of Advanced Welding and Joining, Harbin Institute of Technology, Harbin 150001, P. R. China

Funder

National Natural Science Foundation of China

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.3c00643

Reference44 articles.

1. How a Solvent Molecule Affects Competing Elimination and Substitution Dynamics. Insight into Mechanism Evolution with Increased Solvation

2. Reactions of α-Nucleophiles with Alkyl Chlorides: Competition between SN2 and E2 Mechanisms and the Gas-Phase α-Effect

3. E2 and SN2 Reactions of X− + CH3CH2X (X = F, Cl); an ab Initio and DFT Benchmark Study

4. Imaging dynamic fingerprints of competing E2 and SN2 reactions

5. Competing E2 and SN2 Mechanisms for the F– + CH3CH2I Reaction

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5. Effects of Methyl Substitution and Leaving Group on E2/SN2 Competition for Reactions of F− with RY (R = CH3, C2H5, iC3H7, tC4H9; Y = Cl, I);Molecules;2023-08-27