The strongest hydrogen-bond? Ab initio-LCAO-MO-SCF calculations
Abstract
Ab initio-LCAO–MO–SCF calculations indicate that the hydrogen-bond between the fluoride anion and formic acid, HCO2H ⋯ F–, is stronger than that in the bifluoride anion, F–H ⋯ F–, previously believed to be the upper limit of H-bond strength.