Structural Models of Water and Structuring of Nano-clusters Regarding the Energies of Hydrogen Bonds

Abstract

In this review it is reported about the research on the structure of intermolecular water cyclic associates (clusters) with general formula (Н₂О)_n and their charged ionic clusters [H⁺(Н₂О)_n]⁺ and [OH^-(Н₂О)_n]^- by means of computer modeling and spectroscopy methods as ¹Н-NMR, IR-spectroscopy, NES, DNES, EXAFS-spectroscopy, X-Ray and neurons diffraction. The computer calculation of polyhedral nanoclusters (Н₂О)_n, where n = 3–20 are carried out. Based on this data the main structural mathematical models describing water structure (quasi-crystalline, continuous, fractal, fractal-clathrate) have been examined and some important physical characteristics were obtained. The average energy of hydrogen bonding between Н₂О molecules in the process of cluster formation was measured by the DNES method compiles -0.1067 ± 0.0011 eV. It was also shown that water clusters formed from D₂О were more stable, than those ones from Н₂О due to isotopic effects of deuterium.

Keywords: hydrogen bond, water, structure, clusters, IR-spectroscopy, NES, DNES.