Theoretical investigation of the SN2 mechanism of X− [X = SH, PH2] + CH3Y [Y = F, Cl, Br, I] reactions in water
Author:
Affiliation:
1. College of Physics and Electronics, Shandong Normal University, Jinan, Shandong 250014, China
Abstract
Funder
National Natural Science Foundation of China
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/D1CP03048E
Reference45 articles.
1. Rethinking the SN2 reaction
2. Gas-phase nucleophilic displacement reactions
3. The intrinsic reaction coordinate. An ab initio calculation for HNC→HCN and H−+CH4→CH4+H−
4. Gas phase nucleophilic substitution
5. Comparison of direct dynamics simulations with different electronic structure methods. F− + CH3I with MP2 and DFT/B97-1
Cited by 6 articles. 订阅此论文施引文献 订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献
1. Competing C and N as Reactive Centers for Microsolvated Ambident Nucleophiles CN–(H2O)n=0–3: A Theoretical Study of E2/SN2 Reactions with CH3CH2X (X = Cl, Br, I);The Journal of Physical Chemistry A;2024-05-31
2. Mechanistic Insights into the Proton Transfer and Substitution Dynamics of N-Atom Center Reactions: A Study of CH3O– with NH2Cl;The Journal of Physical Chemistry A;2024-03-19
3. Vibrational mode-specificity in the dynamics of the OH− + CH3I multi-channel reaction;The Journal of Chemical Physics;2024-01-24
4. Kinetic model, recycling, regeneration, and reusing of tri-phase catalytic nucleophilic substitution esterification;Molecular Catalysis;2022-10
5. Kinetics, Recycling, Regeneration, and Reusing of Tri-Phase Catalytic Nucleophilic Substitution Esterification;SSRN Electronic Journal;2022
1.学者识别学者识别
2.学术分析学术分析
3.人才评估人才评估
"同舟云学术"是以全球学者为主线，采集、加工和组织学术论文而形成的新型学术文献查询和分析系统，可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容，当前同舟云学术共收录了国内外主流学术期刊6万余种，收集的期刊论文及会议论文总量共计约1.5亿篇，并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询！咨询电话：010-8811{复制后删除}0370
www.globalauthorid.com
TOP
Copyright © 2019-2024 北京同舟云网络信息技术有限公司 京公网安备11010802033243号 京ICP备18003416号-3