ISSN print edition: 0366-6352 ISSN electronic edition: 1336-9075 Registr. No.: MK SR 9/7 Published monthly

Optimizing nonlinear optical activity in heterocyclic chalcone derivatives: impact of fused ring and substituent effects

Amrita Saha, Monaj Karar, Sudip Choudhury, Asha Singh, and J. Jayabalan

MLR Institute of Technology, Hyderabad, India

E-mail: dramrita@mlrinstitutions.ac.in

Received: 24 February 2025  Accepted: 12 March 2026

Abstract:

The study focuses on the design and synthesis of novel pyridine core chalcone derivatives, engineered for their promising nonlinear optical (NLO) properties. Spectroscopic analyses confirmed the structural integrity and purity of the synthesized compounds, with UV–Vis and fluorescence studies revealing broad absorption bands and tunable emission profiles aligned with their expected conjugated systems. The NLO investigations revealed substantial nonlinear optical responses across the heterocyclic chalcone derivatives, which were designed systematically with donor–acceptor groups, fused rings like naphthalene, anthracene and substituted anthracene to study the impact of fused ring and substituent effects on the Nonlinear optical properties. These derivatives exhibited pronounced optical nonlinearity, attributed to the electron delocalization within their π-conjugated structures. Computational studies revealed that modifications in the structure influence the electron distribution and energy level alignment, thereby optimizing NLO properties. This correlation between molecular structure and optical nonlinearity underscores the significance of these pyridine core chalcone derivatives for advanced photonic applications, positioning them as valuable candidates for future development in the field of nonlinear optics.

Keywords: Nonlinear optical properties; Heterocyclic chalcone; Push–pull system; HOMO–LUMO energy gap

Full paper is available at www.springerlink.com.

DOI: 10.1007/s11696-026-04812-7

Chemical Papers 80 (6) 7005–7015 (2026)