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- Title
Theoretical investigation of the performance of nonlinear optical properties in Push–pull chromophores derivatives of acrylo–azobenzene.
- Authors
Boutaleb, Miloud; Doumi, Bendouma; Bensaid, Djillali; Guemra, Kaddour; Sayede, Adlane
- Abstract
Due to their strong molecular hyperpolarizability, organic push–pull materials are gaining interest for nonlinear optical applications. We were able to characterize the intramolecular charge transfer and the distribution of the electron cloud within the molecular unit by exciting these materials under the influence of an electric field. The series products of conjugated monomers derived from acrylo–azobenzene containing in the para position the attracting groups (–H, –NO2, –COOC2H5, –SO3H and –COOH) exhibit good nonlinear optical activity. We computed the nonlinear optical characteristics of these compounds as well as exploiting the theoretical calculations of DFT and AM1 to determine their hyperpolarizabilities. Besides, we investigated the increase in hyperpolarizability in the push–pull model of organic compounds under the effect of the strength of attracting groups, the existence of the conjugated π -electron and the azo bridge.
- Subjects
OPTICAL properties; INTRAMOLECULAR charge transfer; CHROMOPHORES; CHARGE exchange; ELECTRON distribution; NONLINEAR optical spectroscopy
- Publication
International Journal of Computational Materials Science & Engineering, 2024, Vol 13, Issue 4, p1
- ISSN
2047-6841
- Publication type
Article
- DOI
10.1142/S2047684123500355