Synthesis, growth, crystal structure, thermal, linear and nonlinear opticalanalysis of new extended π-conjugated organic material based on methyl pyridinium compound of 4-(4-(4-(dimethylamino) phenyl)buta-1,3-dienyl)-1-methylpyridinium p-styrenesulfonate hydrate
| Autor: | P. Sagayaraj, Priya Antony, Jerald V. Ramaclus, Tejaswi Ashok Hegde, G. Vinitha, S. Antony Inglebert, S. John Sundaram, A. Antony Raj, S. Dominique |
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| Rok vydání: | 2019 |
| Předmět: |
010405 organic chemistry
Hydrogen bond Organic Chemistry Stacking Crystal structure Chromophore 010402 general chemistry Ring (chemistry) 01 natural sciences 0104 chemical sciences Analytical Chemistry Inorganic Chemistry chemistry.chemical_compound Crystallography chemistry Molecule Pyridinium Hydrate Spectroscopy |
| Zdroj: | Journal of Molecular Structure. 1196:699-706 |
| ISSN: | 0022-2860 |
| Popis: | In this research work, a new extended π-conjugated chromophore of 4-[4-(4-dimethylamino-phenyl) buta-1,3-dienyl]-1-methyl pyridinium p -styrenesulfonate (DCSSS) is synthesized. The present work demonstrates that 4-[4-(4-dimethylamino-phenyl) buta-1,3-dienyl]-1-methyl pyridiniump-styrene sulfonate hydrate (DCSSS·H 2 O) crystallizes with centrosymmetric space group ( P 1 ¯ ). The asymmetric structure comprises of 4-((1E,3E)-4-(4-(dimethylamino)phenyl)buta-1,3-dien-1-yl)-1-methylpyridinium cation (C 18 H 21 N 2 + ), 4-vinylbenzenesulfonate (C 8 H 7 O 3 S − ) anion and a water molecule. The crystal structure is stabilized by C–H⋯O, O–H⋯O, O–H⋯S types of H-bonding interactions along with π–π stacking interaction and C–H···π interactions. In DCSSS, the anion, cation and water molecule are connected by four O water –H···O water and C cation –H···O sulfonate hydrogen bonds, generating R 6 6 (18) graph-set notation. This ring motif is sandwiched between two another R 4 4 (12) ring motif, which are generated by four O–H⋯O bonds between anion, cation and water molecules, forming laddar lying parallel to the ab plane. The material was characterized by single crystal XRD method, CHN, NMR, FTIR, FT-Raman, TG-DSC and UV-Vis and luminescence studies. To the best of author's knowledge, all these characterizations were made for the first time. We have also emphasized the role of hydrogen bonding on molecular packing to obtain perfectly aligned cations. Third harmonic generation efficiency of the compound is measured by Z-scan technique with continuous wave semiconductor laser of wavelength 532 nm to realize the nonlinear optical properties DCSSS molecule. |
| Databáze: | OpenAIRE |
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