Ab initio molecular-orbital study of hydrogen-bonded complexes of carbonyl aliphatic compounds and hydrogen fluoride

A study was conducted relating to research on the intermolecular phenomenon of hydrogen bonding in terms of the structural and electronic properties of proton donor and acceptor molecules. The experiment aimed primarily to analyze the trends of the changes in the energy of hydrogen-bond formation in aliphatic carbonyl derivatives and to explain the results in terms of properties of either the complex or the isolated molecule. Results of the study are discussed.