Keywords Schiff base-metal complexes Thermal studies Non-isothermal kinetic parameters Raman frequencies DFT Introduction In the modern age, the introduction of sophisticated physicochemical techniques of higher accuracy and potential have greatly enriched our understanding to the nature of the metal–ligand bond, the structural features of metal complexes, their stability and other properties. The well-established thermogravimetry and differential scanning calorimetry techniques have been consistently used in studying the thermal behavior and properties of various types of materials for many years [1, 2]. In association with other characterization techniques like FTIR, PXRD, Mass; etc., thermal studies provide valuable structural information. Kinetic parameters of non- isothermal degradation steps of metal complexes obtained by thermoanalytical methods may be evaluated by several methods [3, 4]. The knowledge of the mechanism of non-isothermal degradation allows the postulation of kinetic equations or vice versa . There are different methods to study the kinetics of non-isothermal processes including statistical methods [6, 7], methods for different reaction models, Coats–Redfern (C–R) , Piloyan–Novikova (P–N) , Horowitz–Metzger (H–M) , and iso-conversional model free methods . In the last three decades, DFT has become the most popular and useful computational approach to predict fairly accurate structural information for
Research on Chemical Intermediates – Springer Journals
Published: Sep 17, 2016
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