Crystal growth and characterization of 4-[4-(4-dimethylamino-phenyl) buta-1,3-dienyl]-1-methyl pyridinium iodide for higher order non-linear applications

• Published in: Optics and laser technology Vol. 121; p. 105831
• Main Authors: John Sundaram, S., Ramaclus, Jerald V., Panneerselvam, M., Jaccob, M., Antony, Priya, Anandaraj, L., Muthupandi, S., Paul Winston, Albin John P., Sagayaraj, P.
• Format: Journal Article
• Language: English
• Published: Kidlington Elsevier Ltd 01.01.2020; Elsevier BV
• Subjects: Cinnamaldehyde; Crystal growth; Crystal structure; Density functional theory; DFT study; Ionic organic crystal; Methyl pyridinium iodide; Molecular structure; NMR; Nonlinear analysis; Nuclear magnetic resonance; Optical properties; Order parameters; Organic salts; Single crystals; Spectroscopy; Stilbazolium derivative; Spectroscopy; Ionic organic crystal; DFT study; Stilbazolium derivative
• ISSN: 0030-3992; 1879-2545
• DOI: 10.1016/j.optlastec.2019.105831

[Display omitted] •A new Organic single crystal of DACSI was grown and its properties in crystalline form is reported for the first time.•High planarity of DACSI molecule is achieved by introducing a π – linker in the DASI molecule.•The nonlinear optical properties of DACSI is compared with DASI and the changes are examined.•The thermal and mechanical properties of DACSI is investigated and found to be similar to DASI crystal. We have developed a organic salt; 4-[4-(4-dimethylamino-phenyl) buta-1,3-dienyl]-1-methyl pyridinium iodide (DACSI) with extended π-conjugated system. DACSI single crystals have been grown by slow evaporation technique. The crystal structure of DACSI single crystal is determined using single crystal X-ray diffraction method. By employing the density functional theory, the molecular structure of DACSI is compared with the well known stilbazolium cationic choromophore; 4-N, N-dimethylamino-4′-N′-methylstilbazolium iodide. The study confirms that the extended π-conjugated system increased the planarity of DACSI when compared to DASI. Proton NMR analysis ascertained the existence of π-conjugated bridge between the 4-N, N-dimethylamino cinnamaldehyde and aromatic pyridinium structure. Infrared spectroscopy confirmed the vibrational modes of the vinyl, phenyl, and methyl and pyridinium structure of DACSI. The mechanical and dielectric characters of the compound are examined. The non linear optical parameters involving the first order hyperpolarizability (β), mean polarizability (αtotal) and NLO response of DACSI are computed and compared with DASI. Third order nonlinear optical properties are analyzed using the z-scan experimental data.