Analysis of nuclear quantum effects on hydrogen bonding

The impact of nuclear quantum effects on hydrogen bonding is examined for a series of hydrogen fluoride [(HF).sub.n] clusters and a partially solvated fluoride anion, [F.sup.-]([H.sub.2]O). The vibrationally averaged F shielding constant for [F.sup.-]([H.sub.2]O) is lower than the value for the equilibrium geometry, indicating that the electronic density on the fluorine decreases as a result of the quantum delocalization of the shared hydrogen.