1：Experimental Design and Method Selection:

The study involved the synthesis of novel HTMs BTT-PMe and BTT-2F via a simpler synthetic route with cost-effective purification steps. The structural confirmation was done using NMR, FT-IR, and mass spectroscopy. Optical parameters were analyzed using UV–Vis spectrophotometer and cyclic voltammetry. Theoretical studies were conducted to match experimental data.

2：Sample Selection and Data Sources:

The starting materials included P-tolyl boronic acid and 2,4-difluoro phenyl boronic acid pinacol ester obtained from Sigma-Aldrich. Solvents were purified by standard procedures.

3：List of Experimental Equipment and Materials:

UV–Visible spectra were acquired using a Shimadzu UV-1600 spectrometer, fluorescence spectra were recorded by J.Y. Horiba fluorescence spectrometer, and electrochemical data were obtained by cyclic voltammetry using a BAS100 electrochemical analyzer.

4：Experimental Procedures and Operational Workflow:

The final HTMs were synthesized by Suzuki-cross coupling reaction, followed by purification and characterization. Optical and electrochemical studies were performed to understand the nature of the fluorine atom.

5：Data Analysis Methods:

Density functional theory (DFT) and time-dependent DFT calculations were performed using cam-B3LYP/6-311G* level in chloroform solution via Gaussian 09 program package.