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

H. J. Ravindra* (Corresponding Author), W. T.A. Harrison, M. R. Suresh Kumar, S. M. Dharmaprakash

*Corresponding author for this work

Research output: Contribution to journalArticle

23 Citations (Scopus)

Abstract

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 P212121. 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.

Original languageEnglish
Pages (from-to)310-315
Number of pages6
JournalJournal of Crystal Growth
Volume311
Issue number2
Early online date7 Nov 2008
DOIs
Publication statusPublished - 1 Jan 2009

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Crystallization
Crystal growth
crystal growth
Single crystals
Crystals
Molecules
Vickers hardness
single crystals
synthesis
Harmonic generation
Acetone
ureas
Urea
Powders
Differential thermal analysis
acetone
crystals
Fourier transform infrared spectroscopy
Thermogravimetric analysis
Charge transfer

Keywords

  • A1. Characterization
  • A2. Growth from solution
  • B1. Organic compound
  • B2. Nonlinear optical material

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Inorganic Chemistry
  • Materials Chemistry

Cite this

Synthesis, crystal growth, characterization and structure-NLO property relationship in 1,3-bis(4-methoxyphenyl)prop-2-en-1-one single crystal. / Ravindra, H. J. (Corresponding Author); Harrison, W. T.A.; Suresh Kumar, M. R.; Dharmaprakash, S. M.

In: Journal of Crystal Growth, Vol. 311, No. 2, 01.01.2009, p. 310-315.

Research output: Contribution to journalArticle

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abstract = "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 P212121. 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.",
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