Modeling Protic to Dipolar Aprotic Solvent Rate Acceleration and Leaving Group Effects in SN2 Reactions: A Theoretical Study of the Reaction of Acetate Ion with Ethyl Halides in Aqueous and Dimethyl Sulfoxide Solutions
Author:
Affiliation:
1. Departamento de Química, Universidade Federal de Santa Catarina, CEP 88040-900 Florianópolis, SC, Brazil
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp047386a
Reference65 articles.
1. Free energy calculations: a breakthrough for modeling organic chemistry in solution
2. Ab initio and Monte Carlo calculations for a nucleophilic addition reaction in the gas phase and in aqueous solution
3. Ab initio study of the SN2 reactions of hydroxide and hydroperoxide with chloromethane
4. Electrostatic component of solvation: Comparison of SCRF continuum models
5. Continuum solvation models: Dissecting the free energy of solvation
Cited by 35 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. Parameterization of the IEF PCM model for calculating solvation energies in N -methylpyrrolidone solution;Physics and Chemistry of Liquids;2024-02-25
2. Origin of Water‐Stable CsPbX3 Quantum Dots Assisted by Zwitterionic Ligands and Sequential Strategies for Enhanced Luminescence Based on Crystal Evolution;Small;2023-11-09
3. Low-temperature degradation of lignin in aprotic solvent system for preparation of monophenolic platform chemicals;Chemical Engineering Journal;2023-11
4. Kinetics and Quantum Chemical Analysis of Intramolecular S N 2 Reactions by Using Metal Salts and Promoted by Crown Ethers: Contact Ion Pair vs. Separated Nucleophile Mechanism;ChemistrySelect;2022-02-08
5. The role of intermolecular forces in ionic reactions: the solvent effect, ion-pairing, aggregates and structured environment;Organic & Biomolecular Chemistry;2021
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