Comparative Multiparametric Analysis of Solvent Effects on Absorption and Emission Properties of 1,3,4‐Oxadiazole‐Based Fluorophores
Year: 2026
Type: article
Abstract: ABSTRACT This work explores the solvent‐dependent photophysics of three 1,3,4‐oxadiazole derivatives (OxFF, OxFLFF, and OxFLBPA) by applying multiple linear regression (MLR) analysis to three complementary solvatochromic models—Kamlet–Taft, Catalán, and Laurence providing a comparative framework that overcomes limitations of single‐model studies. The study correlates photophysical parameters, including absorption and emission maxima, and Stokes shifts (Δν), with empirical solvent descriptors to identify the dominant solute–solvent interactions. The Laurence model provided an excellent statistical fit specifically for the fluorescence emission properties ( R 2 > 0.97) through its dispersion (DI) and electrostatic (ES) terms, while exhibiting lower correlation for the ground‐state absorption of the more complex derivatives. Overall, the Kamlet–Taft and Catalán models offered consistent complementary trends. OxFLBPA exhibited the largest oscillator strength ( f = 0.416) and transition dipole moment ( μ = 5.14 D), attributable to its extended π‐conjugation. The results demonstrate coherent solvatochromic trends and validate the multiparametric approach as a valuable predictive tool for understanding and designing oxadiazole‐based optoelectronic materials.
Source: ChemistrySelect
DOI: 10.1002/slct.74695
Authors: Mihaela Homocianu, Alina Mirela Ipate
Institution: Institutul de Chimie Macromoleculară Petru Poni
Language: English
Subfield: Physical and Theoretical Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: bronze
OpenAlex ID: W7219140341