Synthesis, structural and theoretical studies of a rare hexameric water cluster held in the lattice of {[Zn(HL)(phen)(H2O)]∙3(H2O)}2 (H3L=trans-aconitic acid)

Abstract

The reaction of Zn(NO 3 ) 2 ∙3(H 2 O) with trans -aconitic acid (H 3 L), in presence of chelating 1,10-phenanthroline, leads to the formation of a dinuclear unit {[Zn(HL)(phen)(H 2 O)]∙3(H 2 O)} 2 . The lattice water molecules are assembled as a centrosymmetric hexamer. The crystal structure, thermal studies, theoretical calculations, and the factors that stabilize this water hexamer are presented. A new type of binodal network has been constructed by a zinc(II) trans-aconitate dimer and a water hexamer through H-bonds.