Research Data Package: Multifunctional D-A Luminophores based on Acenaphtopyrido[2,3-b]pyrazine Core - Complete Experimental and Computational Data

This comprehensive research data package contains all experimental and computational data supporting the study "Multifunctional properties of D–A luminophores based on acenaphtopyrido[2,3-b]pyrazine core: photophysics, photochemistry, and efficient solution-processed OLEDs" published in Journal of Materials Chemistry C (2023, DOI: 10.1039/d3tc02860g). The package includes complete datasets for 8 novel donor-acceptor compounds exhibiting remarkable multifunctional properties: thermally activated delayed fluorescence (TADF), room-temperature phosphorescence (RTP), and aggregation-induced emission (AIE). Key achievements include OLED external quantum efficiencies up to 15.3% in solution-processed devices and singlet oxygen generation quantum yields up to 48% for photodynamic therapy applications. Data categories include: • Synthesis and characterization (NMR, TGA, protocols) • Photophysical properties (solution and solid-state studies, time-resolved spectroscopy, AIE studies, singlet oxygen generation) • Electrochemical analysis (cyclic voltammetry, HOMO/LUMO energies) • OLED device performance (fabrication protocols, efficiency data, chromaticity coordinates) • Computational chemistry (DFT optimized geometries, TD-DFT excited state calculations) • Published manuscript and supplementary information All data are provided in open formats (CSV, TXT, XYZ, PDF) with comprehensive documentation, detailed experimental protocols, and examples for data reuse. The dataset demonstrates best practices in FAIR data management and serves as a valuable resource for researchers in organic electronics, photophysics, materials design, and photodynamic therapy. Total: 48+ files (~8.2 MB) covering complete research cycle from synthesis to applications.