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Growth, Characterization and Molecular Hyperpolarizabilities of Novel Nonlinear Optical Chalcone Crystals

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1TitleTitle of DocumentGrowth, Characterization and Molecular Hyperpolarizabilities of Novel Nonlinear Optical Chalcone Crystals
2CreatorAuthor's name, affiliation, country A.N. PRABHU, A. JAYARAMA, V. UPADHYAYA and K SUBRAHMANYA BHAT
Department of Physics, Manipal Institute of Technology, Manipal University, Manipal-576 104, India
Department of Physics, Mangalore Institute of Technology & Engineering (MITE), Moodabidri-574225, India
Department of Chemistry, Manipal Institute of Technology, Manipal University-576104, India
3SubjectDicipline(s) Chemical Science
3SubjectKeywords Chalcone derivative, Crystal structure, Crystal growth, Nonlinear optical materials
4DescriptionAbstract A chalcone derivative, 1-(5-bromothiophen-2-yl)-3-(2,3-dimethoxyphenyl)prop-2-en-1-one (BTDMP), has been synthesized and grown as a high-quality single crystal by the slow evaporation solution growth technique. The compound was characterized by FT-IR and NMR studies. The crystal has been subjected to single-crystal x-ray diffraction studies and cell parameters of the crystal were determined. The title compound crystallizes in monoclinic system with a centrosymmetric space group P21/c, with unit cell parameters a= 11.6473(6) , b= 8.5651(5) , c= 14.4829(8) , a= 90?, = 99.853(2) ?, ? = 90? and V= 1423.51(14) 3. The thermal stability of the crystal was determined from DSC curve. The grown crystals were characterized for their optical transmission and mechanical hardness. The potential of these crystals for NLO applications were studied using molecular hyperpolarizability calculations using MOPAC 2012.
5PublishersOrganizing agency, location WWW Publications, India
6Contributor Sponsor(s) -
7DateDate (YYYY-MM-DD) -
8TypeStatus & genre Peer-reviewed Article
8TypeType
9FormateFile Formate PDF
10IdentifierUniform Resource Identifier Click Here
10IdentifierDigital Object Identifier DOI:10.7598/cst2014.735
11SourceJournal/conference title; vol., no. (Year)Chemical Science Transactions, Volume  3 , Number  (2), (2014)
12LanuguageEnglish=en en
13RelationSupp.files
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