Isotope Effect on the Hydrogenhyphen;Bond Length

摘要

Using the Stepanov approximation, computer calculations have been made of the effect of deuterium substitution on the length of the hydrogen bond. Expansion on replacement with deuterium is a feature of both symmetric and asymmetric doublehyphen;minimum potentials, contraction of singlehyphen;minimum potentials. The origin of the effect and its relation to observations is discussed.