Synthesis, crystal growth, characterization and structure–NLO property relationship in 1,3-bis(4-methoxyphenyl)prop-2-en-1-one single crystal

High-quality single crystals of 1,3-bis(4-methoxyphenyl)prop-2-en-1-one (BMP) of size 20 mm×16 mm×5 mm have been grown by the slow evaporation of an acetone solution at 28 °C and characterized by elemental analysis, thermo-gravimetric analysis/differential thermal analysis (TGA/DTA), Fourier transfo...

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Veröffentlicht in:Journal of crystal growth 2009, Vol.311 (2), p.310-315
Hauptverfasser: Ravindra, H.J., Harrison, W.T.A., Suresh Kumar, M.R., Dharmaprakash, S.M.
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container_end_page 315
container_issue 2
container_start_page 310
container_title Journal of crystal growth
container_volume 311
creator Ravindra, H.J.
Harrison, W.T.A.
Suresh Kumar, M.R.
Dharmaprakash, S.M.
description High-quality single crystals of 1,3-bis(4-methoxyphenyl)prop-2-en-1-one (BMP) of size 20 mm×16 mm×5 mm have been grown by the slow evaporation of an acetone solution at 28 °C and characterized by elemental analysis, thermo-gravimetric analysis/differential thermal analysis (TGA/DTA), Fourier transform infrared (FTIR) spectroscopy and single-crystal X-ray diffraction. BMP crystallizes in the orthorhombic system with the noncentrosymmetric space group P2 12 12 1. The crystal melts at 107 °C and the average Vickers hardness number is 17 kg mm −2. BMP crystals are transparent in the entire visible region and have a lower optical cutoff at 435 nm. A Kurtz powder second harmonic generation (PSHG) measurement indicated that BMP and urea have similar responses. The observed SHG response for BMP is due to effective charge transfer arising from the donor– π-acceptor– π-donor ( D– π– A– π– D) structure of the molecule and the weak C–H… π interaction observed in the crystal structure, which helps to stack the molecules in a noncentrosymmetric arrangement.
doi_str_mv 10.1016/j.jcrysgro.2008.10.092
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subjects A1. Characterization
A2. Growth from solution
B1. Organic compound
B2. Nonlinear optical material
Charge transfer
Condensed matter: electronic structure, electrical, magnetic, and optical properties
Condensed matter: structure, mechanical and thermal properties
Cross-disciplinary physics: materials science
rheology
Crystal growth
Crystals
Deformation, plasticity, and creep
Diamond pyramid hardness
Differential thermal analysis
Diffraction
Evaporation
Exact sciences and technology
Growth from solutions
Materials science
Melts
Methods of crystal growth
physics of crystal growth
Optical properties and condensed-matter spectroscopy and other interactions of matter with particles and radiation
Optical properties of bulk materials and thin films
Physics
Single crystals
Structure of solids and liquids
crystallography
Structure of specific crystalline solids
Treatment of materials and its effects on microstructure and properties
title Synthesis, crystal growth, characterization and structure–NLO property relationship in 1,3-bis(4-methoxyphenyl)prop-2-en-1-one single crystal
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