1：Experimental Design and Method Selection:

The study involved synthesizing coordination compounds with TT as a guest, using solvothermal methods, and characterizing them structurally and photophysically to compare with pure TT. Theoretical models like DFT and TDDFT were used for computational analysis.

2：Sample Selection and Data Sources:

Samples included pure TT crystals and four coordination compounds (1-4) synthesized from TT with Zn or Cd salts. Data were obtained from single-crystal XRD, photoluminescence measurements, and computational studies.

3：List of Experimental Equipment and Materials:

Equipment included FLS 980 and Nanolog spectrofluorimeters, Xcalibur E diffractometer, FT IR Spectrum-100 spectrometer, DRON-UM X-ray powder diffractometer, and Gaussian 16 software. Materials included TT, Zn(CH3COO)2, Cd(ClO4)2·xH2O, Cd(BF4)2·6H2O, Zn(BF4)2·H2O, and solvents like CH3CN.

4：Experimental Procedures and Operational Workflow:

Compounds were synthesized solvothermally at 80°C for 24 hours, followed by crystallization. Structural characterization was done via XRD, and photophysical properties were measured using spectrofluorimeters at 298 K and 77 K. Computational studies optimized structures and calculated interaction energies.

5：Data Analysis Methods:

Data were analyzed using SHELXS97 and SHELXL2014 for XRD, and Gaussian 16 for DFT/TDDFT. Photoluminescence lifetimes were fitted using bi- or tri-exponential decays, and average lifetimes were calculated.