Reinvestigation of Crystalline Sulfuric Acid and Oxonium Hydrogensulfate

Abstract

The crystal structures of H2SO4 and (H3O)(HSO4) have been refined with good accuracy (R = 0.027 and 0.033, respectively) making a discussion of hydrogen bonding now possible. In sulfuric acid the S—O and S—OH distances are 1.426 (1) and 1.537 (1) Å, respectively, and the structure is characterized by layers of hydrogen-connected SO4 tetrahedra forming 44 nets. In oxonium hydrogen sulfate the HSO4− tetrahedra form infinite hydrogen-bonded chains which are linked by H3O+ ions forming double layers.