Investigation on growth, structural, DFT and third-order nonlinear optical studies of cyclohexylammonium 4-nitrobenzoate for optical limiting applications

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Gomathi, R. and Ganesamoorthy, R. and Babu, D. Rajan and Vinitha, G. and Madeswaran, S. (2022) Investigation on growth, structural, DFT and third-order nonlinear optical studies of cyclohexylammonium 4-nitrobenzoate for optical limiting applications. Indian Journal of Physics, 96 (11). pp. 3297-3309. ISSN 0973-1458

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Abstract

Cyclohexylammonium 4-nitrobenzoate (CYH4NBA), an organic nonlinear optical material, was grown by slow evaporation and characterized via elemental analysis, single crystal XRD, thermal analysis, and dielectric studies. FTIR and NMR confirmed structure, while UV–Vis-NIR spectroscopy showed a cutoff at 263.24 nm. DFT calculations analyzed HOMO–LUMO gap and electrostatic potential. CYH4NBA exhibits optical limiting properties, moderate melting point (160°C), and high third-order nonlinear susceptibility (2.58 × 10−6 esu), suitable for optical applications.

Item Type: Article
Subjects: Chemistry > Physical and Theoretical Chemistry
Divisions: Medicine > Vinayaka Mission's Kirupananda Variyar Medical College and Hospital, Salem
Depositing User: Unnamed user with email techsupport@mosys.org
Last Modified: 02 Dec 2025 09:12
URI: https://vmuir.mosys.org/id/eprint/2752

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