What are the differences between Hantzsch ester and H2 as two‐hydrogen‐atom donors in acetonitrile on the thermodynamics of elementary steps?. (16th June 2016)

• Record Type: Journal Article
• Authors: Yuan, Lin; Shen, Guang‐Bin; Fu, Yan‐Hua; Zhu, Xiao‐Qing
• Is Part Of: Journal of physical organic chemistry. Volume 30:Number 2(2017)
• Page Start: n/a
• Page End: n/a
• Publication Date: 2016-06-16
• Subjects: donors -- H2 -- Hantzsch ester -- thermodynamics -- two hydrogen atoms; Chemistry, Physical organic -- Periodicals; 547.1
• DOI: 10.1002/poc.3599
• Languages: English
• ISSNs: 0894-3230

Abstract

Abstract : 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 © 2016 John Wiley & Sons, Ltd. Abstract : The focus of this paper is to compare differences between Hantzsch ester (HEH2 ) and H2 to release two hydrogen atoms (2H ) or ions (H − and H + ) on thermodynamics of each elementary step in acetonitrile, which can make chemists to choose suitable reducer between HEH2 and H2 as well as diagnose reduction mechanism.