What are the differences between Hantzsch ester and H 2 as two‐hydrogen‐atom donors in acetonitrile on the thermodynamics of elementary steps?

Thermodynamic driving forces of eight possible elementary steps for Hantzsch ester and six possible elementary steps for H 2 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 H 2 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 H 2 to release two hydrogen atoms (or ions) on the thermodynamics of elementary steps in acetonitrile. Copyright © 2016 John Wiley & Sons, Ltd.