ISSN 2456-0235

International Journal of Modern Science and Technology

INDEXED IN 

​​​​​​​January 2018, Vol. 3, No 1, pp 17-26. 

​​Growth, Spectroscopic, Hyperpolarizability and Dielectric studies on 8 Hydroxy Quinolinium Benzoate (8HQB) Crystal

J. Balaji¹*, P. Ramnivasmirtha² 
¹Department of Physics, University College of Engineering: Panruti. (A Constituent College of Anna University, Chennai),  Panruti - 607 106. India.
²Department of Chemistry, Cheran College of Engineering,  Karur - 639 111. India.
​​*Corresponding author’s e-mail: ramjbalaj@gmail.com

Abstract

An organic Non-linear optical crystal, 8 Hydroxy quinolinium benzoate is grown by slow evaporation technique using ethanol as solvent.  Cell parameter for grown crystal is observed from single crystal XRD and the crystal belongs to the centrosymmetric crystal structure with P21/c space group.  The molecular structure and various functional groups are identified by 1H NMR, FTIR and FTRaman analysis.  The dielectric responses of the compound have been studied in the frequency range 100 Hz–5MHz at various temperatures. The first order hyperpolarizabilty of 8HQB is computed by Density functional theory using B3LYP/ HF6-31G (d,p) level.  The total number of vibrational modes is obtained using factor group analysis.  Thermal suitability in optical application is analysed using TG/DTA thermal analysis.  The lower cutoff wavelength of grown crystal is 243nm.  The second harmonic generation efficiency of title compound is 2 times that of KDP.

Keywords: NLO crystal; HOMO-LUMO analysis; Dielectric material; Factor group analysis.

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