First Estimation of C(sub4)-H Bond Dissociation Energies of NADH and Its Radical Cation in Aqueous Solution.

The article presents an estimation of C(sub4)-H bond dissociation energies of nicotinamide adenine dinucleotide (NADH) and its radical cation in aqueous solution. It is ubiquitous and controls so much of the oxidation and reduction nature, that there has been a long-standing interest in the mechanisms of the redox interconversions. Chemists have given considerable attention to the chemistry of NADH and its models. An interesting controversy is whether the formal hydride transfer from NADH to the surrounding substrates occurs in a one-step or multistep sequence involving electron transfer as the initial step.