A molecular electron density theory study of the bimolecular nucleophilic substitution reactions on monosubstituted methyl compounds-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

A molecular electron density theory study of the bimolecular nucleophilic substitution reactions on monosubstituted methyl compounds

Published:2024 Issue: Volume: Page:
ISSN:1477-0520
Container-title:Organic & Biomolecular Chemistry
language:en
Short-container-title:Org. Biomol. Chem.

Author:

Domingo Luis R.¹^ORCID,Pérez Patricia²^ORCID,Ríos-Gutiérrez Mar¹^ORCID,Aurell M. José¹^ORCID

Affiliation:

1. Department of Organic Chemistry, University of Valencia, Dr. Moliner 50, 46100 Burjassot, Valencia, Spain

2. Universidad Andrés Bello, Facultad de Ciencias Exactas, Departamento de Ciencias Químicas, Centro de Química Teórica & Computacional, Av. República 275, 8370146, Chile

Abstract

ELF and AIM topological analyses of the electron density in the transition state structures of the SN2 reactions of monosubstituted methyl compounds reveal a central CH3+ carbocation strongly stabilized by the two adjacent nucleophilic species.

Funder

Ministerio de Ciencia e Innovación

Fondo Nacional de Desarrollo Científico y Tecnológico

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/OB/D4OB01113A

Reference51 articles.

1. 55. Mechanism of substitution at a saturated carbon atom. Part IV. A discussion of constitutional and solvent effects on the mechanism, kinetics, velocity, and orientation of substitution

2. Hydrolysis of Secondary and Tertiary Alkyl Halides

3. F. A.Carey and R. J.Sundberg , in Advanced Organic. Chemistry. Part A: Structure and Mechanisms , Springer , New York , 2008

4. K.Fukui , in Molecular orbitals in chemistry physics and biology , New York , 1964

同舟云学术

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