Authors
Mohd Muslim, Sultan, Liyaqat Ali Kamran, Basree, Amit Kumar Pradhan, Mohammad Jane Alam, S M Afzal, Musheer Ahmad, Mohd Afzal
Published in
RSC advances. Volume 15. Issue 6. Pages 4657-4668. Feb 06, 2025. Epub Mar 31, 2025.
Abstract
This study explores the nonlinear optical (NLO) properties of two synthesized copper complexes, {[Cu(dmp)2(H2O)]·(PA)2} (complex 1) and {[Cu(dmp)2]·(PA)} (complex 2), where dmp represents 2,9-dimethyl-1,10-phenanthroline (neocuproine) and PA refers to picric acid. Employing both experimental and theoretical approaches, we comprehensively analyzed their NLO properties. Experimentally, third-order NLO parameters were determined using the Z-scan technique with a 520 nm continuous-wave diode laser, yielding values of nonlinear refractive index (n 2), nonlinear absorption coefficient (β), and third-order nonlinear optical susceptibility (χ (3)) on the order of 10-7 cm2 W-1, 10-3 cm W-1, and 10-6 esu, respectively. These findings underscore their significant optical nonlinearity and suitability for intensity-dependent NLO applications, as evidenced by their high values of negative refractive index. Density Functional Theory (DFT) investigations were performed at the M062X/(6-31G(d,p)/LanL2DZ)) level to evaluate key reactivity descriptors, including polarizability, hyperpolarizability, and dipole moment, which align with the experimental results. Conceptual DFT analysis reveals that complex 1 is more stable, while complex 2 exhibits higher reactivity. The strong hyperpolarizability and remarkable third-order NLO properties of these copper complexes demonstrate their potential for advanced photonic and optoelectronic applications.
PMID:
40166731
Bibliographic data and abstract were imported from PubMed on 01 Apr 2025.
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