Synthesis, growth, crystal structure, thermal, linear and nonlinear opticalanalysis of new extended pi-conjugated organic material based on methyl pyridinium compound of 4-(4-(4-(dimethylamino) phenyl) buta-1,3-dienyl)-1-methylpyridinium p-styrenesulfonate hydrate

摘要

In this research work, a new extended pi-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 center dot H2O) crystallizes with centrosymmetric space group (P (1) over bar). The asymmetric structure comprises of 4-((1E,3 E)-4-(4-(dimethylamino)phenyl)buta-1,3-dien-1-yl)-1-methylpyridinium cation (C18H21N2+), 4-vinylbenzenesulfonate (C8H2O3S-) anion and a water molecule. The crystal structure is stabilized by C-H center dot center dot center dot O, O-H center dot center dot center dot O, O-H center dot center dot center dot S types of H-bonding interactions along with pi-pi stacking interaction and C-H center dot center dot center dot pi interactions. In DCSSS, the anion, cation and water molecule are connected by four O-water-H center dot center dot center dot O-water and C-cation-H center dot center dot center dot 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 center dot center dot center dot 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. (C) 2019 Elsevier B.V. All rights reserved.