What are the differences between Hantzsch ester and H₂ as two-hydrogen-atom donors in acetonitrile on the thermodynamics of elementary steps?

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• 作者：Lin Yuan ; Guang-Bin Shen ; Yan-Hua Fu and Xiao-Qing Zhu
• 刊名：Journal of Physical Organic Chemistry
• 出版年：2017
• 出版时间：February 2017
• 年：2017
• 卷：30
• 期：2
• 全文大小：1113K
• ISSN：1099-1395

文摘

Thermodynamic driving forces of eight possible elementary steps for Hantzsch ester and six possible elementary steps for H₂ to release two hydrogen atoms (2H^•) or ions (H⁻ and H⁺) in acetonitrile were examined using experimental method or the available related thermodynamic data for the first time, which can facilitate chemists to choose a suitable reducing agent between Hantzsch ester and H₂ to reduce a given organic unsaturated compound in acetonitrile and make a rational diagnosis on the detailed reaction mechanisms. The focus of this paper is to compare the differences between Hantzsch ester and H₂ to release two hydrogen atoms (or ions) on the thermodynamics of elementary steps in acetonitrile. Copyright