Nd. Sokolov et Va. Savelev, DYNAMICS OF THE WEAK HYDROGEN-BOND IN A GAS-PHASE - 3-DIMENSIONAL MODEL AND ISOTOPE EFFECTS OF THE BOND-LENGTH, Journal de chimie physique et de physico-chimie biologique, 90(9), 1993, pp. 1631-1641
A simple model interpreting the isotope effects on the A...B equilibri
um distance in the molecular dimers A-H...B with weak H bond in a gas
phase is presented. The model takes into account two stretching and on
e bending modes of the fragment A-H...B. The change of the isotope eff
ect sign is shown to depend on the H bond strength. Possibilities of t
he experimental quantitative verification of the model are discussed,