Structural and spectral characterization of novel non-centrosymmetric 2,4-dintrobenzene derivative

• Published in: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Vol. 117; pp. 793 - 797
• Main Authors: Strel’nik, A.D., Garipov, M.R., Petukhov, A.S., Shtyrlin, N.V., Lodochnikova, О.А., Litvinov, I.A., Naumov, A.K., Morozov, O.A., Klimovitskii, A.E., Shtyrlin, Yu.G.
• Format: Journal Article
• Language: English
• Published: England Elsevier B.V 03.01.2014
• Subjects: 2,4-Dinitrobenzene derivative; Crystal growth; Crystallization; Crystallography, X-Ray; Differential Thermal Analysis; Dinitrobenzenes - chemistry; Magnetic Resonance Spectroscopy; Molecular Structure; Nonlinear optical material; Oxepins - chemistry; Pyridines - chemistry; Second harmonic generation; Spectrophotometry, Ultraviolet; Spectroscopy, Fourier Transform Infrared; Spectrum Analysis, Raman; Temperature; Thermogravimetry; X-Ray Diffraction; Crystal growth; X-ray diffraction; Second harmonic generation; Nonlinear optical material; 2,4-Dinitrobenzene derivative
• ISSN: 1386-1425; 1873-3557
• DOI: 10.1016/j.saa.2013.09.092

•A novel organic nonlinear optical material DNPAP has been synthesized.•It has good physicochemical properties suitable for second harmonic generation.•The SHG efficiency of DNPAP is found to be 6.4 times better than that of KDP. A novel organic compound 9-(2,4-dinitrophenyloxy)-3,3,8-trimethyl-1,5-dihydro-[1,3]dioxepino[5,6-c]pyridine (DNPAP) has been synthesized and a nonlinear optical (NLO) crystal has been grown by slow evaporation method. Compound was subjected to different characterization analyses in order to find out its suitability for optoelectronic applications. Single crystal and powder X-ray diffraction analyses show that DNPAP crystallizes in the orthorhombic space group Pca21. The range of optical absorption was ascertained by recording UV–Vis spectrum. The second harmonic generation (SHG) test has shown that DNPAP possesses 6.4-times higher NLO efficiency compared to KDP.