STRUCTURAL IMPLICATIONS OF O-H•••O HYDROGEN BONDS IN INORGANIC CRYSTALS

Structural characteristics of O-H center dot center dot center dot 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 center dot center dot center dot 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 worksheds some light on the usage of hydrogen bonds in inorganic crystal design.