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

• Published in: Journal of crystal growth Vol. 311; no. 2; pp. 310 - 315
• Main Authors: Ravindra, H.J., Harrison, W.T.A., Suresh Kumar, M.R., Dharmaprakash, S.M.
• Format: Journal Article
• Language: English
• Published: Amsterdam Elsevier B.V 2009; Elsevier
• 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; 81.10; B1. Organic compound; A2. Growth from solution; 42.65; A1. Characterization; B2. Nonlinear optical material; Crystal growth; Vickers hardness; Fourier transform spectroscopy; Space groups; Weak interactions; XRD; Crystal perfection; Optical properties; Charge transfer; Nonlinear optics; Growth from solution; Organic compounds; Crystal structure; Second harmonic generation; Thermogravimetry; Differential thermal analysis; Evaporation; Urea; Monocrystals; Orthorhombic lattices; Optical materials; Property structure relationship; Transparent material; Acetone; Gravimetry
• ISSN: 0022-0248; 1873-5002
• DOI: 10.1016/j.jcrysgro.2008.10.092

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.