A classical but new kinetic equation for hydride transfer reactions

التفاصيل البيبلوغرافية
العنوان: A classical but new kinetic equation for hydride transfer reactions
المؤلفون: Jin-Dong Yang, Yuan-Yuan Mu, Xiao-Qing Zhu, Er-Jun Hao, Qiang Chen, Su-Hui Han, Nan-Ping Lei, Fan-kun Meng, Fei-Huang Deng, Xiao-Peng Zhao, Xiu-Tao Li
المصدر: Organicbiomolecular chemistry. 11(36)
سنة النشر: 2013
مصطلحات موضوعية: Proton, Molecular Structure, Chemistry, Hydride, Organic Chemistry, Thermodynamics, Hydrogen atom, Biochemistry, Chemical reaction, Ion, Condensed Matter::Materials Science, Transition state theory, Kinetics, Chemical bond, Physics::Plasma Physics, Computational chemistry, Physics::Atomic and Molecular Clusters, Molecule, Physics::Chemical Physics, Physical and Theoretical Chemistry, Organic Chemicals, Protons, Astrophysics::Galaxy Astrophysics, Hydrogen
الوصف: 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.
تدمد: 1477-0539
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8872993a1b43a7b7a7a56195bd5b0862
https://pubmed.ncbi.nlm.nih.gov/23917398
رقم الأكسشن: edsair.doi.dedup.....8872993a1b43a7b7a7a56195bd5b0862
قاعدة البيانات: OpenAIRE