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Crystal structure or chemical composition of salt–sugar‐based metal–organic frameworks: what are the nonlinear optical properties due to?
Author(s) -
Marabello Domenica,
Antoniotti Paola,
Benzi Paola,
Beccari Fabio,
Canepa Carlo,
Cariati Elena,
Cioci Alma,
Lo Presti Leonardo
Publication year - 2021
Publication title -
acta crystallographica section b
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.604
H-Index - 33
ISSN - 2052-5206
DOI - 10.1107/s2052520621004637
Subject(s) - hyperpolarizability , isostructural , second harmonic generation , materials science , biosensor , nonlinear optical , single crystal , crystal (programming language) , metal organic framework , crystal engineering , crystal structure , salt (chemistry) , metal , nonlinear optics , nanotechnology , crystallography , chemistry , nonlinear system , molecule , optics , organic chemistry , adsorption , polarizability , supramolecular chemistry , computer science , laser , quantum mechanics , metallurgy , programming language , physics
In the last few decades optical imaging techniques based on nonlinear optical properties have been of interest for biosensing applications. This work focuses on two isostructural and isomorphous sugar‐derived metal–organic frameworks (MOFs) with second‐harmonic generation (SHG) properties, in order to investigate their possible application as biosensors in view of their high biocompatibility. Combining 2‐deoxy‐ d ‐galactose with the metal halogenides Ca X 2 ( X = Br, I), two new isomorphous MOFs of formula [Ca(C 6 H 12 O 5 ) 2 ] X 2 were obtained and characterized through single‐crystal X‐ray diffraction. The first‐order static hyperpolarizability and second‐order susceptibility were estimated by in vacuo and in‐crystal density functional theory calculations, and compared with the experimental SHG response of powdered samples. The parameters influencing the SHG response of these compounds were investigated by comparison with similar previously analysed MOFs, to understand how to design more efficient materials to be used as nanoprobes by exploiting crystal engineering techniques.