Thermodynamic Evaluations of Amines as Hydrides or Two Hydrogen Ions Reductants and Imines as Protons or Two Hydrogen Ions Acceptors, as Well as Their Application in Hydrogenation Reactions.

ABSTRACT: Since the hydrogenation of imines (X) and the dehydrogenation of amines (XH₂) generally involve the two hydrogen ions (H^- + H⁺) transfer, the thermodynamic abilities of various amines releasing hydrides or two hydrogen ions as well as various imines accepting protons or two hydrogen ions are important and characteristic physical parameters. In this work, the pK_a values of 84 protonated imines (XH⁺) in acetonitrile were predicted. Combining Gibbs free energy changes of amines releasing hydrides in acetonitrile from our previous work with the pK_a(XH⁺) values, the Gibbs free energy changes of amines releasing two hydrogen ions and imines accepting two hydrogen ions were derived using Hess's law by const

SUBMITTER: Shen GB 

PROVIDER: S-EPMC10483529 | biostudies-literature | 2023 Sep

REPOSITORIES: biostudies-literature