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; W. T.A. Harrison; M. R. Suresh Kumar; S. M. Dharmaprakash

doi:10.1016/j.jcrysgro.2008.10.092

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

Mangalore University

Research output: Contribution to journal › Article › peer-review

38 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 language	English
Pages (from-to)	310-315
Number of pages	6
Journal	Journal of Crystal Growth
Volume	311
Issue number	2
Early online date	7 Nov 2008
DOIs	https://doi.org/10.1016/j.jcrysgro.2008.10.092
Publication status	Published - 1 Jan 2009

Bibliographical note

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.

Keywords

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

Access to Document

10.1016/j.jcrysgro.2008.10.092Licence: Unspecified

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

Research output: Contribution to journal › Article › peer-review

@article{59b8f82a30dc478986f315cc9ac5787a,

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

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.",

keywords = "A1. Characterization, A2. Growth from solution, B1. Organic compound, B2. Nonlinear optical material",

author = "Ravindra, {H. J.} and Harrison, {W. T.A.} and {Suresh Kumar}, {M. R.} and Dharmaprakash, {S. M.}",

note = "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. ",

year = "2009",

month = jan,

day = "1",

doi = "10.1016/j.jcrysgro.2008.10.092",

language = "English",

volume = "311",

pages = "310--315",

journal = "Journal of Crystal Growth",

issn = "0022-0248",

publisher = "Elsevier",

number = "2",

}

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

SN - 0022-0248

VL - 311

SP - 310

EP - 315

JO - Journal of Crystal Growth

JF - Journal of Crystal Growth

IS - 2

ER -

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

Abstract

Bibliographical note

Keywords

Access to Document

Other files and links

Fingerprint

Cite this