Synthesis, structure and NLO properties of a new isostructural -D-fructopyranose alkaline halides MOFs. A theoretical and experimental study

In this work four isomorphic Metal Organic Frameworks, based on fructose and alkali-earth alogenides, were investigated to better understand the effect of the size of the cation and the different polarizability of the anion on the calculated hyperpolarizability and optical susceptibility, that are correlated to NLO properties. The compounds were characterized by X-ray diffraction and the first hyperpolarizability and the second-order susceptibility were obtained from theoretical calculations. Furthermore, a new method to measure the SH efficiency on a small quantity of powder at different wavelengths of excitation was optimized and we attempted to assess the reduction of the SH intensity for small quantities of nano-crystals, in order to ascertain the possibility of applications in biological systems. The results of this work show that both the intrinsic nature of the anion and the induced dissociation of cation and anion by fructose play a role for the SHG properties of such compounds.