The Influence of Small Monovalent Cations on Neighbouring Hydrogen Bonds of Aquo-Protein Complexes

Abstract

The influence of small monovalent metal ions on hydrogen bonds of aquo-protein complexes is studied on Li⁺/HCONH₂-OH₂ as an example. Using results obtained from ab initio calculations with minimal GLO basis sets, the remarkable changes in the hydrogen bond energy and charge distribution, due to metal ion complex formation, are discussed. The metal ion seems to enhance strongly the donor-acceptor interaction of the O ... H-N-C=0 hydrogen-bonded system.