Intramolecular Hydrogen Bonding in Disubstituted Ethanes. A Comparison of NH···O- and OH···O- Hydrogen Bonding through Conformational Analysis of 4-Amino-4-oxobutanoate (succinamate) and Monohydrogen 1,4-Butanoate (monohydrogen succinate) Anions

• Published in: The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Vol. 109; no. 40; pp. 9076 - 9082
• Main Authors: Rudner, Mark S, Jeremic, Senka, Petterson, Krag A, Kent, Brown, Katherine A, Drake, Michael D, Goddard, William A, Roberts, John D
• Format: Journal Article
• Language: English
• Published: American Chemical Society 13.10.2005

Relative strengths of amide NH···O- and carboxyl OH···O- hydrogen bonds were investigated via conformational analysis of succinamate and monohydrogen succinate anions with the aid of vicinal proton−proton NMR couplings and B3LYP DFT quantum mechanical calculations for a variety of solvents. New expe...