Applied Crystallography

Biography

Biography: Geeta Hundal

Abstract

As supramolecular assemblies, water molecules may just act as fillers by accommodating the interstitial voids or be a part of the self-assembled architecture themselves. The inter- and intramolecular H-bonds in various water clusters have been found to lie between −9 and −32 kJ mol−1 and −10 to −100 kJ mol−1, respectively, and for both, the data invariably depends on the O···O cutoff being considered. Therefore, the major role to understanding water cluster chemistry is played by X-ray crystallography.One of the aims of these structural studies on water clusters has been to accurately characterize them as various structural motifs. We have found that [Ni(H2O)6]2+ has the ability to form self-assembled supramolecular structures with lattice water molecules and demonstrate yet another unique modes of the cooperative association of water molecules, forming 2D and 3D cationic layers of water molecules. The anions are forming either alternate H-bonded layers with the 2D water layers or are sitting in the huge channels present in the open 3D network of water molecules. Such structural studies are helpful in understanding the nature and role of various water clusters in biological systems, where assorted metal ions are involved in diverse biological functions in an aqueous environment.