Golden ratio and bond-valence parameters of hydrogen bonds of hydrated borates

摘要

A quantitative understanding of microscopic characteristics of hydrogen bonds in various compounds is quite important for the deep study of structure-property relationships of functional crystals. The present work skillfully applies the well-known Golden ratio in the quantitative analysis of bond lengths of O-H center dot center dot center dot O hydrogen bonds. On the basis of the bond valence sum model, the bond-valence parameters do of the stronger O-H and weaker H center dot center dot center dot O bonds are respectively calculated from the bond length data of hydrogen bonds in hydrated borates, which are available in the Inorganic Crystal Structure Database (2004). Two linear functions directly relating d(0) value to the respective bond length are recommended here, which provide us a powerful tool to structurally design new types of hydrated borate crystals by employing hydrogen bonds in the crystallographic frame. (c) 2005 Elsevier B.V. All rights reserved.