Suppr超能文献

氢化物转移反应的经典但新颖的动力学方程。

A classical but new kinetic equation for hydride transfer reactions.

机构信息

State Key Laboratory of Elemento-Organic Chemistry, Department of Chemistry, Nankai University, Tianjin 300071, China.

出版信息

Org Biomol Chem. 2013 Sep 28;11(36):6071-89. doi: 10.1039/c3ob40831k.

Abstract

A classical but new kinetic equation to estimate activation energies of various hydride transfer reactions was developed according to transition state theory using the Morse-type free energy curves of hydride donors to release a hydride anion and hydride acceptors to capture a hydride anion and by which the activation energies of 187 typical hydride self-exchange reactions and more than thirty thousand hydride cross transfer reactions in acetonitrile were safely estimated in this work. Since the development of the kinetic equation is only on the basis of the related chemical bond changes of the hydride transfer reactants, the kinetic equation should be also suitable for proton transfer reactions, hydrogen atom transfer reactions and all the other chemical reactions involved with breaking and formation of chemical bonds. One of the most important contributions of this work is to have achieved the perfect unity of the kinetic equation and thermodynamic equation for hydride transfer reactions.

摘要

根据过渡态理论,我们开发了一种经典但新颖的动力学方程,用于估算各种氢化物转移反应的活化能。该动力学方程使用供氢体释放氢阴离子和氢受体捕获氢阴离子的 Morse 型自由能曲线,并据此安全地估算了 187 个典型的氢化物自交换反应和三万多个乙腈中的氢化物交叉转移反应的活化能。由于动力学方程的发展仅基于氢化物转移反应物相关化学键的变化,因此该动力学方程也应适用于质子转移反应、氢原子转移反应以及所有涉及化学键断裂和形成的其他化学反应。这项工作的最重要贡献之一是实现了氢化物转移反应的动力学方程和热力学方程的完美统一。

文献检索

告别复杂PubMed语法,用中文像聊天一样搜索,搜遍4000万医学文献。AI智能推荐,让科研检索更轻松。

立即免费搜索

文件翻译

保留排版,准确专业,支持PDF/Word/PPT等文件格式,支持 12+语言互译。

免费翻译文档

深度研究

AI帮你快速写综述,25分钟生成高质量综述,智能提取关键信息,辅助科研写作。

立即免费体验