title: Directionality of inter- and intramolecular OHO hydrogen bonds: DFT study followed by AIM and NBO analysis.
abstract: The directionality of inter- and intramolecular OHO hydrogen bonds has been compared. For intramolecular bridges it is determined by an orbital formed in the proton transfer process. For intermolecular bonds, the hydrogen-bonded proton is attached to two lone pairs of the acceptor and the OHO angle is not fixed but can change in a broad range. Depending on the OHO angle, the interaction changes continuously from electrostatic interaction to strong OHO hydrogen bond.
authors: Faculty of Chemistry, University of Wroclaw , Joliot-Curie 14, 50-383 Wroclaw, Poland.
authors: Irena
authors: I
authors: Majerz