The importance of the composite mechanisms with two transition states in the F− + NH2I SN2 reaction
Author:
Affiliation:
1. College of Physics and Electronics
2. Shandong Normal University
3. Jinan 250014
4. China
5. Fujian Institute of Research on the Structure of Matter
6. Chinese Academy of Sciences (CAS)
7. Fuzhou 350002
Abstract
The two-transition-state mechanisms, especially the double-inversion mechanism, make the largest contribution to the SN2 reactivity of the F− + NH2I reaction.
Funder
National Natural Science Foundation of China
Taishan Scholar Foundation of Shandong Province
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2020/CP/D0CP01942A
Reference49 articles.
1. Simulations of Gas-Phase Chemical Reactions: Applications to S N 2 Nucleophilic Substitution
2. Gas phase nucleophilic substitution
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4. Rethinking the X− + CH3Y [X = OH, SH, CN, NH2, PH2; Y = F, Cl, Br, I] SN2 reactions
5. F− + CH3I → FCH3 + I− Reaction Dynamics. Nontraditional Atomistic Mechanisms and Formation of a Hydrogen-Bonded Complex
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