Second Harmonic Generation Behavior of Two New <scp>d</scp>-Ribose/<scp>d</scp>-Fructose and Metal Halogenide-Based Coordination Compounds and Comparison to <scp>d</scp>-Fructose and <scp>d</scp>-Galactose Analogues: An Experimental and Theoretical Approach

This work is focused on the understanding of second harmonic generation (SHG) behavior metal halogenides–saccharide-based compounds. Three new compounds were added to a list such that previously analyzed by our group in order deepen relationship between SHG these materials and their structural and/or chemical properties. These object theoretical calculations with two different computational approaches (nanoparticle bulk) characterized single-crystal X-ray diffraction (XRD), measurements performed. The results demonstrate DFT simulations can be considered as reliable predictors magnitude experimental measures. nanoparticle take into account finite size crystals powders lowering symmetry due defects. A multivariate analysis performed elucidate structural, chemical, physical parameters NLO response.