Structural characterization and nonlinear optical properties of 1-phenyl-3-(4-bis(2-chloroethyl)aminophenyl)-2-propen-1-one

• Published in: Journal of structural chemistry Vol. 56; no. 7; pp. 1398 - 1404
• Main Authors: Sankaraperumal, Anitha, Shetty, A. N., Karthikeyan, J.
• Format: Journal Article
• Language: English
• Published: Moscow Pleiades Publishing 01-12-2015
• Subjects: Atomic; Atomic/Molecular Structure and Spectra; Chemistry; Chemistry and Materials Science; Inorganic Chemistry; Molecular; Optical and Plasma Physics; Physical Chemistry; Solid State Physics; Structure of Organic Compounds: Calculations and Experiments; synthesis; chemical synthesis; X-ray diffraction; crystal structure; crystal growth; optical materials; infrared spectroscopy
• ISSN: 0022-4766; 1573-8779
• DOI: 10.1134/S0022476615070227

A new chalcone derivative 1-phenyl-3-(4-bis(2-chloroethyl)aminophenyl)-2-propen-1-one with the molecular formula C
19
H
19
Cl
2
NO 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/m
3
,
V
= 1736.00(8) Å
3
with unit cell parameters
a
= 7.8899(2) Å,
b
= 14.1924(4) Å,
c
= 15.7879(4) Å, α = 83.1280(10)°, β = 81.929(2)°, γ =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.