Investigation on Bonding in Oxides Flourides and Oxy Flourides Using X Ray Derived Charge Density

Abstract

The concept of chemical bond is crucial to all Sciences. Studies of chemical bonding in crystals have experienced a true blossoming over the past few decades. Charge density is a versatile tool which has the ability to do an obvious work of providing an analytical description of the electronic structures, properties, chemical bonding and the correlations between them, in a compound. The electron density analysis, when discussed with the aid of the two best possible and reliable methods, multipole and MEM (Maximum Entropy method) has the ability to afford an analytical description of electronic structures, chemical bonding and the correlations between them and provide evidence in regard to a number of questions related to the properties of materials. In this thesis, I report the charge density studies of some enchanting inorganic compounds viz, Oxides, Fluorides and Oxyfluorides in detail. newline