MATERIALES MOLECULARES Resolución y Refinamiento de la Estructura Cristalina a Partir de Difracción de Rayos X

Abstract

Molecular materials, because of their potential applications have gained in recent years a growing role in various areas of scientific knowledge, such as chemistry, biology, physics and in general materials science. Of particular importance in these are those whose crystal structure allows them to work as environmental catalysts, prototypes of molecular magnets, hijackers of toxic ions, molecular sieves, etc. More recently, they are being used as prototypes for storage of molecular hydrogen. For the understanding of all material properties, it is of fundamental importance structural knowledge at the atomic level, and so a technique that has proven to be highly useful is the Xray diffraction. This work has as main objective the determination and the refinement of the crystal structure of a set of molecular materials of interest in new technologies, using this tool assisted by complementary techniques such as infrared spectroscopy, termogravimetric analysis, scanning electron microscopy, etc. The thesis contains a chapter devoted to the State of the art exhibit, a chapter which presents the experimental aspects and three chapters which displays the results and discussions. In these last few are resolved and refine based on patterns of X ray diffraction both types, the crystalline structures of 20 new compositions belonging to three families of Molecular materials and powders: hexacyanometallates, imidazolates and tetracyanoniquelates. The results presented in the thesis are supported by 7 publications in scientific journals of high impact factor, according to Science Citation Index. In addition, 1 article has been accepted, 2 have been sent and 3 are being prepared to be sent to indexed journals.