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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

STRUCTURAL IMPLICATIONS OF O—H⋯O HYDROGEN BONDS IN INORGANIC CRYSTALS

State Key Laboratory of Fine Chemicals, Department of Materials Science and Chemical Engineering, School of Chemical Engineering, Dalian University of Technology, Dalian 116012, China

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State Key Laboratory of Fine Chemicals, Department of Materials Science and Chemical Engineering, School of Chemical Engineering, Dalian University of Technology, Dalian 116012, China

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https://doi.org/10.1142/S0217984909022058Cited by:12 (Source: Crossref)

Abstract

Structural characteristics of O—H⋯O hydrogen bonds in inorganic crystals were comprehensively investigated on the basis of a database study. It is shown that the multi-furcated hydrogen bonds are very common, therefore, the structures of hydrogen bonds in inorganic crystals are extremely flexible. The direction and distance preferences of hydrogen bonds were systematically analyzed through frequency distribution histograms and normalized spatial frequency distribution scatter plot. In addition, new bond valence parameters were proposed for O—H⋯O bonds in inorganic crystals fully taking into account the multi-furcated hydrogen bonds, which can be used to properly evaluate hydrogen bond strengths in inorganic crystals. The current work sheds some light on the usage of hydrogen bonds in inorganic crystal design.

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Vol. 23, No. 31n32

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