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Twelve-coordinated sulfate hydrogen bonding interactions in water-containing Fe(II) system

Abstract Twelve-coordinated sulfate hydrogen bonding interactions in water-containing Fe(II) system, [Fe0.5(H2O)3]2SO4·H2O (1), are reported herein. The X-ray single-crystal structural characterization suggests that the SO42− anion is coordinated by a total of twelve O–H···O hydrogen bonds from coordinated or free water molecules, with each sulfate O atom accepting three H-bonds in water-containing Fe(II) system. A well-defined cyclic (10) H-bonding motif is found in the sulfate − water clusters, which is extended into 2D sulfate − water H-bonding sheet. An 1D infinite [SO42−−H2O]n chain is further cross-linked with the 2D H-bonding sheet above mentioned to form a 3D sulfate − water hydrogen bonding network stabilized by the O–H···O hydrogen bonds interactions. The sulfate saturated coordination of 12 hydrogen bonds from water molecules in its first hydration shell is confirmed by X-ray crystallography. GRAPHICAL ABSTRACT The X-ray single-crystal structural characterization suggests that the SO42− anion is coordinated by a total of twelve O–H···O hydrogen bonds from coordinated or free water molecules, with each sulfate O atom accepting three H-bonds in water-containing Fe(II) system. The H-bonding interactions in the sulfate − water chains are also studied.