Multiple strong hydrogen bonded supramolecular cocrystals of 18-crown-6 with 5-nitroisophthalic acid: Solvent effect and optical nonlinearities
| Autor: | S. Rafi Ahamed, C. Balakrishnan, S. Sivaraman, R. Markkandan, M. Manonmani, Sp. Meenakshisundaram, R.M. Sockalingam, G. Vinitha |
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| Rok vydání: | 2020 |
| Předmět: |
010405 organic chemistry
Chemistry Hydrogen bond Organic Chemistry Intermolecular force Supramolecular chemistry Hyperpolarizability 010402 general chemistry 01 natural sciences 0104 chemical sciences Analytical Chemistry Supramolecular assembly law.invention Inorganic Chemistry Crystal Crystallography law Solvent effects Crystallization Spectroscopy |
| Zdroj: | Journal of Molecular Structure. 1201:127158 |
| ISSN: | 0022-2860 |
| DOI: | 10.1016/j.molstruc.2019.127158 |
| Popis: | Novel cocrystals of 18-crown-6 (18C6) with 5-nitroisophthalic acid (5NIPA) have been prepared by reaction in a solution of CH3OH–H2O (2:3, v/v) and C2H5OH–H2O (2:3, v/v) systems. The cocrystals 18-crown-6.5-nitroisophthalic acid. CH3OH.2(H2O) (I) and 18-crown-6.5-nitroisophthalic acid.3(H2O) (II) have been characterized by X-ray diffraction and constructed supramolecular assembly is thoroughly investigated. CH3OH incorporation inducing centrosymmetric crystallization and acentric crystal packed supramolecular construction in presence of ethanol are the highlights of the study. Intermolecular interactions are quantified by Hirshfeld surface analysis. First-order molecular hyperpolarizability estimated by theoretical calculations indicate a significant microlevel nonlinearity in both cases and Z-scan studies suggest a promising third-order nonlinear optical behaviour. Supramolecular assembly afford multiple strong O–H ….O hydrogen bonds creating a facile atmosphere for optical nonlinearity and mainly these O ….O hydrogen bonds stabilize the structure. |
| Databáze: | OpenAIRE |
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