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SPECIAL ISSUE: Proceedings of Advances in Functional Materials; 8–12 June 2009, Sichuan, China and 15–18 June 2009, Jinju, KoreaNo Access

HYDROGEN BONDING CHARACTERISTICS OF CRYSTALLINE WATER IN INORGANIC CRYSTALS

    https://doi.org/10.1142/S021798490902206XCited by:2 (Source: Crossref)

    From the chemical bond viewpoint, the microscopic characterstatics of hydrogen bonds in MiOH2O (M is the metal cation coordinated to water molecule and i is the number of M) systems were comprehensively studied. It is shown that the original OOH and HO bond lengths of each hydrogen bonding system are evidently influenced by the crystalline environment and strongly dependent on the corresponding average bond lengths of each system, and . Furthermore, the hydrogen bonding capability of water molecules coordinated to various metal cations was properly estimated and found to be related to the ionic electronegativities of these metal cations. The current work provides a useful route to calculating hydrogen bond valences within reasonable accuracy and sheds light on the rational utilization of hydrogen bonds in crystal design.