ArticleJournal of molecular modeling2024
Nonlinear optical properties of azo sulfonamide derivatives.
Article in Journal of molecular modeling, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.
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Who cites it
4 citing papers in PubMed, 40 citations in OpenAlex.
- A cheminformatics and DFT exploration of a brominated sulfonamide with nonlinear optical response and preliminary in silico bioactivity assessment.Molecular diversity · 2026Article
- Recent Advances in the Third Order Nonlinear Optical Properties of Chalcone Derivatives: a Review.Journal of fluorescence · 2026Review
- Near-Infrared-Absorbing B-N Lewis Pair-Functionalized Anthracene Derivatives: Electronic Structure and Second-Order NLO Properties.Journal of fluorescence · 2025Article
- Antitumor, biological and nonlinear optical activities of novel thiazolidines.Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology · 2025Article
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Authors and funding
3 authors at 2 institutions in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
contextThe present work deals with the linear and nonlinear optical properties such as the dipole moment, polarizability, total hyperpolarizability, electric field-induced second harmonic generation, and hyper-Rayleigh scattering first hyperpolarizability of four heterocyclic azo compounds containing the sulfonamide group considered promise in nonlinear optic. The obtained polarizability and hyperpolarizability were supported by the frontier molecular orbital analysis. The properties have been effectively estimated and thoroughly examined to shed light on the nonlinear optical activity based on the density functional theory. The observed results show a high total first hyperpolarizability
methodsThe molecular modeling and the theoretical studies were performed with Gaussian software packages. The B3LYP/6-311 + G** level was used for optimization. All the linear and nonlinear optical properties reported here are obtained using the DFT. The optimized structures and their frontier molecular orbitals were plotted using the GaussView 5.1 program.
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Registered trials
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