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Quantitative Evaluation of the Hydrogen-Donating Abilities of Amines and Amides in Acetonitrile

机译:Quantitative Evaluation of the Hydrogen-Donating Abilities of Amines and Amides in Acetonitrile

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摘要

In this article, the thermo-kinetic parameter △G~(≠°)(XH) was used to evaluate the H-donating ability of amine and amide. The second-order rate constants of 41 HAT reactions from amines and amides to CumO· in acetonitrile at 298 K were researched. The thermo-kinetic parameters of 28 amines and 13 amides XH were obtained by the kinetic equation as △G~(≠°)(CumO·) = 41.63 kcal/mol was available in previous work. The scales of the H-donating abilities of these 28 amines and 13 amides were determined by using the thermo-kinetic parameters △G~(≠°) (XH). The H-donating abilities of amines are stronger than amides, except for two amines without α-CH. The influencing factors of hydrogen donation abilities and the explanation for the HAT reaction sites for amides and amines are discussed from the direction of thermodynamics and kinetics in detail.. The hydrogen donation ability is determined by the combination of thermodynamic bond dissociation free energy △G°(XH) and kinetic intrinsic resistance energy △G~≠_(XH/X), that is the thermo-kinetic parameter △G~(≠°)(XH). The H-donating abilities of these amines and amides were compared with four bioactive antioxidants, NADH coenzyme analogue BNAH, F420H and Vitamin C and E. The results showed that these amines and amides are all weak H-donors.
机译:在本文中,thermo-kinetic参数△G ~(≠°)(XH)被用来评估H-donating胺和酰胺的能力。常量的41个帽子从胺反应酰胺在乙腈在298 K CumO·研究。胺和13酰胺XH获得的动力学方程为△G ~(≠°)(CumO·)= 41.63千卡每摩尔是以前的工作。尺度的H-donating能力这些28胺和13酰胺测定用thermo-kinetic参数△G ~(≠°)(XH)。H-donating胺比的能力了两个胺酰胺,除了没有αch。影响因素的氢捐赠的解释能力和帽子网站的酰胺和胺的反应讨论了从热力学的方向和动力学详细. .能力是由组合债券分离热力学自由能△G°(XH)和动力学固有电阻能量△G ~≠_ (XH / X),这是thermo-kinetic参数△G ~(≠°)(XH)。胺和酰胺相比,四个生物活性的抗氧化剂,辅酶NADH模拟BNAH F420H和维生素C和e .结果表明这些胺和酰胺都是弱H-donors。

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  • 来源
    《Chemistry Select》 |2022年第35期|共6页
  • 作者单位

    College of Chemistry and Environmental Engineering, Anyang Institute of Technology, Anyang, Henan, 455000, China;

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  • 原文格式 PDF
  • 正文语种 英语
  • 中图分类 化学;
  • 关键词

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