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Nonlinear optical organic–inorganic crystals: synthesis, structural analysis and verification of harmonic generation in tri‐( o ‐chloroanilinium nitrate)
Author(s) -
Athmani Hamza,
Kijatkin Christian,
Benali-Cherif Rim,
Pillet Sébastien,
Schaniel Dominik,
Imlau Mirco,
Benali-Cherif Nourredine,
Bendeif El-Eulmi
Publication year - 2019
Publication title -
acta crystallographica section a
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.742
H-Index - 83
ISSN - 2053-2733
DOI - 10.1107/s2053273318014122
Subject(s) - intermolecular force , second harmonic generation , hydrogen bond , crystallography , crystal (programming language) , femtosecond , supramolecular chemistry , materials science , nonlinear optics , crystal structure , diffraction , molecule , chemistry , nonlinear system , optics , laser , physics , organic chemistry , quantum mechanics , computer science , programming language
The structural and nonlinear optical properties of a new anilinium hybrid crystal of chemical formula (C 6 H 7 NCl + ·NO 3 − ) 3 have been investigated. The crystal structure was determined from single‐crystal X‐ray diffraction measurements performed at a temperature of 100 K which show that the compound crystallizes in a noncentrosymmetric space group ( Pna 2 1 ). The structural analysis was coupled with Hirshfeld surface analysis to evaluate the contribution of the different intermolecular interactions to the formation of supramolecular assemblies in the solid state that exhibit nonlinear optical features. This analysis reveals that the studied compound is characterized by a three‐dimensional network of hydrogen bonds and the main contributions are provided by the O…H, C…H, H…H and Cl…H interactions, which alone represent ∼85% of the total contributions to the Hirshfeld surfaces. It is noteworthy that the halogen…H contributions are quite comparable with those of the H…H contacts. The nonlinear optical properties were investigated by nonlinear diffuse femtosecond‐pulse reflectometry and the obtained results were compared with those of the reference material LiNbO 3 . The hybrid crystals exhibit notable second (SHG) and third (THG) harmonic generation which confirms its polarity is generated by the different intermolecular interactions. These measurements also highlight that the THG signal of the new anilinium compound normalized to its SHG counterpart is more pronounced than for LiNbO 3 .