Preparation, characterization, and ab initio x-ray powder diffraction study of Cu-2(OH)(3)(CH3COO)center dot H2O

Cu-2(OH)(3)(CH3COO) . H2O can be prepared by slow titration of 0.1 M copper acetate solution with NaOH 0.1 M to a OH-/Cu2+ ratio of 1 or by heating at 50 < T < 75 degrees C copper acetate solutions with concentrations in the range 0.01 M less than or equal to [Cu2+](T) less than or equal to 0.18 M. This species has been characterized by ab initio XRPD structure determination, magnetic susceptibility measurements, and spectroscopic (XPS-XAES, FTIR) and thermal analyses. Crystals of Cu-2(OH)(3)(CH3COO) . H2O are monoclinic, P2(1)/m, a=5.6025(5), b=6.1120(6), c=18.747(3)Angstrom and beta=91.012(9)degrees, Z=4. Cu-2(OH)(3)(CH3COO) . H2O is a structural analogue of the layered mineral botallackite; however, hydrogen bonded water molecules, which can be easily and reversibly removed by moderate heating, are intercalated between Cu-2(OH)(3)(CH3COO) sheets. (C) 1997 Academic Press.