Effects of Intramolecular Hydrogen Bonding on the Ionization Energies of Proline

摘要

Understanding the nature of inter- and intramolecular H-bonding is the focus of extensive research in the fields of chemistry and biochemistry because the thermodynamics and kinetics of many chemical and biochemical systems are determined to a large degree by H-bonding.Structural information regarding the intermolecular H-bonding in complexes can be obtained from various spectroscopic experiments,and the energetics can be predicted within a super-molecular,high-level ab initio approach.