Study on growth, electronic structure, topological and nonlinear optical properties of semi organic material sodium sulfanilate dehydrate

Sodium sulfanilate dehydrate, organic nonlinear optical single crystals were grown by slow evaporation solution technique. The cell parameters of SSDH were confirmed from single crystal X-ray diffraction analysis. Nonlinear optical activity has been investigated both experimentally and theoretically...

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Bibliographic Details
Published in:Journal of materials science. Materials in electronics 2018-10, Vol.29 (20), p.17887-17902
Main Authors: Arun Sasi, B. S., Alen, S., Joy, Lija K., Sajan, D., James, C.
Format: Article
Language:English
Subjects:
Characterization and Evaluation of Materials
Charge exchange
Chemistry and Materials Science
Crystal growth
Crystal structure
Crystals
Dehydration
Density functional theory
Diffraction
Dipole moments
Electric dipoles
Electronic structure
Infrared radiation
Materials Science
Nonlinear analysis
Nonlinear optics
Optical activity
Optical and Electronic Materials
Optical properties
Single crystals
Surface analysis (chemical)
X-ray diffraction
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Summary:Sodium sulfanilate dehydrate, organic nonlinear optical single crystals were grown by slow evaporation solution technique. The cell parameters of SSDH were confirmed from single crystal X-ray diffraction analysis. Nonlinear optical activity has been investigated both experimentally and theoretically. Hirshfeld surface analysis of the intermolecular interactions in crystal structures have been used to scrutinize molecular shapes. FT-IR, FT-Raman and UV–visible spectral analysis have been performed. Natural Bond Orbital analysis has been carried out in order to reveal the electronic exchange interaction and charge delocalization of the molecule. For the investigation of nonlinear optical behavior, the electric dipole moment, polarizability and hyperpolarizability computations have been performed using density functional theory.
ISSN:0957-4522
1573-482X
DOI:10.1007/s10854-018-9904-4