Identification of a near-linear supramolecular water dimer, (H2O)2, in the channel of an inorganic framework material

Supramolecular water dimer, (H(2)O)(2), is fundamentally important. During the course of our work on polyoxometalates, we have been able to identify the existence of hydrogen-bonded, near-linear water dimers in the "sinuous" channels of an inorganic framework material, Na(3)(n)(H(2)O)(6)(n)Al(OH)(6)Mo(6)O(18)](n)() x 2nH(2)O, 1. The three-dimensional network structure of 1 in the solid state is assembled by the Anderson type of heteropolyanions as building blocks sharing sodium cations. Vibrational spectroscopy, X-ray powder diffraction technique, TG-DSC analyses, and single-crystal X-ray structure analysis have characterized this host-guest system, 1. Crystal data for 1: triclinic space group Ponemacr;, a = 12.0618 (3) A, b = 13.1570 (4) A, c = 14.1563 (4) A, alpha = 80.7850 (10) degrees, beta = 75.2660 (10) degrees, gamma = 68.9210 (10) degrees, and Z = 3.