Literature DB >> 23917398

A classical but new kinetic equation for hydride transfer reactions.

Xiao-Qing Zhu1, Fei-Huang Deng, Jin-Dong Yang, Xiu-Tao Li, Qiang Chen, Nan-Ping Lei, Fan-Kun Meng, Xiao-Peng Zhao, Su-Hui Han, Er-Jun Hao, Yuan-Yuan Mu.   

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.

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Year:  2013        PMID: 23917398     DOI: 10.1039/c3ob40831k

Source DB:  PubMed          Journal:  Org Biomol Chem        ISSN: 1477-0520            Impact factor:   3.876


  6 in total

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2.  Theoretical investigation on the nature of 4-substituted Hantzsch esters as alkylation agents.

Authors:  Guang-Bin Shen; Li Xie; Hao-Yun Yu; Jie Liu; Yan-Hua Fu; Maocai Yan
Journal:  RSC Adv       Date:  2020-08-25       Impact factor: 4.036

3.  Kinetic Studies of Hantzsch Ester and Dihydrogen Donors Releasing Two Hydrogen Atoms in Acetonitrile.

Authors:  Yan-Hua Fu; Cuihuan Geng; Guang-Bin Shen; Kai Wang; Xiao-Qing Zhu
Journal:  ACS Omega       Date:  2022-07-22

4.  Comparison between 1,2-Dihydropyridine and 1,4-Dihydropyridine on Hydride-Donating Ability and Activity.

Authors:  Jin-Ye Zhang; Xiao-Qing Zhu
Journal:  Molecules       Date:  2022-08-24       Impact factor: 4.927

5.  New Insights into the Actual H-Abstraction Activities of Important Oxygen and Nitrogen Free Radicals: Thermodynamics and Kinetics in Acetonitrile.

Authors:  Yan-Hua Fu; Guang-Bin Shen; Kai Wang; Xiao-Qing Zhu
Journal:  ACS Omega       Date:  2022-07-12

6.  Competition between N and O: use of diazine N-oxides as a test case for the Marcus theory rationale for ambident reactivity.

Authors:  Kevin J Sheehy; Lorraine M Bateman; Niko T Flosbach; Martin Breugst; Peter A Byrne
Journal:  Chem Sci       Date:  2020-07-23       Impact factor: 9.825

  6 in total

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