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Journal of Structural Chemistry

2015 year, number 7

STRUCTURAL CHARACTERIZATION AND NONLINEAR OPTICAL PROPERTIES OF 1-PHENYL-3-(4-bis(2-CHLOROETHYL)AMINOPHENYL)-2-PROPEN-1-ONE

A. Sankaraperumal1, A. N. Shetty2, J. Karthikeyan1
1Department of Chemistry, Sathyabama University, Chennai, India
dr.j.karthikeyan@gmail.com; jkarthik_chem@rediffmail.com
2Department of Chemistry, National Institute of Technology Karnataka, Mangalore, India
Keywords: synthesis, optical materials, chemical synthesis, crystal growth, X-ray diffraction, infrared spectroscopy, crystal structure

Abstract

A new chalcone derivative 1-phenyl-3-(4-bis(2-chloroethyl)aminophenyl)-2-propen-1-one with the molecular formula C19H19Cl2NO is synthesized by the Claisen-Schmidt condensation reaction. A transparent yellow single crystal was obtained by the slow evaporation solution growth technique using ethanol at room temperature. The compound crystallizes in the triclinic crystal system, P -1 space group, Z = 4, calculated density = 1.332 mg/m3, V = 1736.00(8) Å3 with unit cell parameters a = 7.8899(2) Å, b = 14.1924(4) Å, c = 15.7879(4) Å, a = 83.1280(10)°, b = 81.929(2)°, g =86.4820°. The second harmonic generation efficiency is found to be 1.5 times higher than that of urea. Thermal stability of the crystal is found to be 250°C determined from the thermogravimetric analysis. The FT-IR spectroscopy is used to identify the functional groups of the synthesized compound. The optical behavior of the grown crystal is examined by the UV-visible spectral analysis, which shows that the absorbance is almost negligible in the wavelength range 400-1300 nm.