8th Liquid Matter Conference September 6-10, 2011 Wien, Austria ...

Tue 611:23-14:00P2.75Model of a topological rearrangement wave onhydrogen-bonded network of waterAlexey Solovey 11 Kurnakov Institute of General and Inorganic Chemistry of Russian Academy of Sciences,GSP-1 Moscow B-71 Leninskij prospekt, 31, 119991, Moscow, Russian FederationThe ”th-model” of liquid water is used, where the majority of water molecules are topologicallyorganized into ”th-cycles”. The most non-disturbed ”th-cycle” is the 30-11 helix [1]. This helixconsists of water molecules organized into twist-boat hexacycles of the same chirality. Thestructural disturbance - a bifurcate component - with bifurcate hydrogen bonds ([2, 3]) can beconstructed and can easily move across the helix without changing the helix topology itself, butchanging the surrounding topology of each water molecule. The bifurcate component includesfour-molecular cycles with specific O-O distance of approximately 3.5 Å, while the O-O radialfunction has a maxima near 3.5 Å [4], which facts might be interrelated. The bifurcate componentcan move across the helix through sequential switching of hydrogen bonds. The total bonds countremains unchanged, the internal molecular coordinates remain unchanged, so the total energy isconstant. When the bifurcate component moves across the helix, the twist-boat hexacycles aretransformed into cage hexamers and then again into twist-boats. The cage conformer is knownto be the most stable conformer of six water molecules [5]. After the bifurcate component hasmoved through the hexacycle the six molecules which composed it do not form a hexacycle. Allthe hydrogen bonds switching are interrelated with bifurcate hydrogen bond formation.[1] V. I. Lobyshev, A. B. Solovey, N. A. Bulienkov, Journal of Molecular Liquids, 106,277 (2003)[2] F. Sciortino, A. Geiger, H. E. Stanley, Journal of Chemical Physics, 96, 3857 (1992)[3] N. A. Chumaevskii, M. N. Rodnikova, Doklady Physical Chemistry, 364, 45 (1999)[4] L. Fu, A. Bienenstock, S. Brennan, Journal of Chemical Physics, 131, 234702 (2009)[5] S. S. Xantheas, Recent theoretical and Experimental Advances in Hydrogen Bonded Clusters,561, 119 (2001)75