TY - JOUR
T1 - Synthesis, crystal growth, characterization and structure-NLO property relationship in 1,3-bis(4-methoxyphenyl)prop-2-en-1-one single crystal
AU - Ravindra, H. J.
AU - Harrison, W. T.A.
AU - Suresh Kumar, M. R.
AU - Dharmaprakash, S. M.
N1 - The authors thank Prof. P.K. Das, IISC, Bangalore and Prof. B. Timmegowda, Department of Chemistry, Mangalore University, for providing experimental facilities and Prof. K.M. Balakrishana and Mr. Kishore Lobo for their help. H.J.R. thanks DAE-BRNS for the project fellowship.
PY - 2009/1/1
Y1 - 2009/1/1
N2 - 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.
AB - 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.
KW - A1. Characterization
KW - A2. Growth from solution
KW - B1. Organic compound
KW - B2. Nonlinear optical material
UR - http://www.scopus.com/inward/record.url?scp=58549090300&partnerID=8YFLogxK
U2 - 10.1016/j.jcrysgro.2008.10.092
DO - 10.1016/j.jcrysgro.2008.10.092
M3 - Article
AN - SCOPUS:58549090300
VL - 311
SP - 310
EP - 315
JO - Journal of Crystal Growth
JF - Journal of Crystal Growth
SN - 0022-0248
IS - 2
ER -