Synthesis, structure and non‐linear optical properties of new isostructural β‐d‐fructopyranose alkaline halide metal–organic frameworks: a theoretical and an experimental study. Issue 4 (1st August 2017)

• Record Type: Journal Article
• Authors: Marabello, Domenica; Antoniotti, Paola; Benzi, Paola; Canepa, Carlo; Mortati, Leonardo; Sassi, Maria Paola
• Is Part Of: Acta crystallographica. Volume 73:Issue 4(2017:Aug.)
• Page Start: 737
• Page End: 743
• Publication Date: 2017-08-01
• Subjects: metal–organic frameworks (MOFs) -- isomorphic material -- non‐linear optical properties -- second‐harmonic generating efficiency -- structure–property relationship
• DOI: 10.1107/S2052520617005285
• Languages: English
• ISSNs: 2052-5206

Abstract

Abstract : Theoretical and experimental investigations on non‐linear optical properties of four metal–organic framework isomorphs, based on fructose and alkali‐earth halogenides, show that both the intrinsic nature of the anion and the induced dissociation of the cation and anion by fructose play a role in the second‐harmonic generating properties of such compounds. Abstract : In this work four metal–organic framework isomorphs, based on fructose and alkali‐earth halogenides, 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, which are correlated to non‐linear optical 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 second‐harmonic (SH) efficiency on a small quantity of powder at different wavelengths of excitation was optimized and an attempt was made 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 cations and anions by fructose play a role in the second‐harmonic generating properties of such compounds.