Effect of the Introduction of Zn^II and Cd^II Ions on Eu^III and Tb^III Emission in M₂Ln₂ Heterometallic Molecules With 2-Furoic Acid Anions

Table S1. Crystallography parameters and structure refinement details.

Table S2. Lengths of selected bonds for complexes {[Zn₂Tb(NO₃)K(MeCN)(fur)₇]·0.13MeCN}_n and [GdNa(MeCN)(fur)₄]_n.

Figure S1. Fragment of molecular structure of complex {[Zn₂Tb(NO₃)K (MeCN)(fur)₇]·0.13MeCN}_n. Hydrogen atoms and solvents molecules are omitted for clarity.

Figure S2. Fragment of molecular structure of the complex [GdNa(MeCN)(fur)₄]_n. Hydrogen atoms are omitted for clarity.

Table S3. Selected absorption bands in the IR-spectra (ATR) of the complexes 1–3 (as – asymmetrical, sym – symmetrical; δ – deformation, ν – valence; γ – skeletal), cm⁻¹.

Figure S3. Theoretical (red line) and experimental (blue line) powder patterns of the compound 1_Eu and their difference (gray line).

Figure S4. Theoretical (red line) and experimental (blue line) powder patterns of the compound 1_Tb and their difference (gray line).

Figure S5. Theoretical (red line) and experimental (blue line) powder patterns of the compound 2_Sm and their difference (gray line).

Figure S6. Theoretical (red line) and experimental (blue line) powder patterns of the compound 2_Eu and their difference (gray line).

Figure S7. Theoretical (red line) and experimental (blue line) powder patterns of the compound 2_Gd and their difference (gray line).

Figure S8. Theoretical (red line) and experimental (blue line) powder patterns of the compound 2_Tb and their difference (gray line).

Figure S9. Theoretical (red line) and experimental (blue line) powder patterns of the compound 3_Sm and their difference (gray line).

Figure S10. Theoretical (red line) and experimental (blue line) powder patterns of the compound 3_Eu and their difference (gray line).

Figure S11. Theoretical (red line) and experimental (blue line) powder patterns of the compound 3_Gd and their difference (gray line).

Figure S12. Theoretical (red line) and experimental (blue line) powder patterns of the compound 3_Tb and their difference (gray line).

Figure S13. The coordination polyhedron of the europium ion in the A molecule in the crystal of 1_Eu.

Figure S14. The coordination polyhedron of the europium ion in the B molecule in the crystal of 1_Eu.

Figure S15. The coordination polyhedron of the lanthanide ions in the molecules of complexes 2 and 3.

Figure S16. The coordination polyhedron of the zinc atom in the molecules of complexes 2_Eu and 2_Tb.

Figure S17. The coordination polyhedron of the cadmium atom in the molecule of 3_Eu complex.

Table S4 Parameters of hydrogen bonds in the crystal packing of 1_Eu, 2_Eu, 2_Gd and 3_Eu.

Table S5. Stacking interactions in the crystal packing of 1_Eu, 2_Eu, 2_Gd and 3_Eu.

Table S6 Table of C-H … π interactions in the crystal packing of 2_Eu, 2_Gd and 3_Eu.

Table S7. The main crystallography data and refinement details for structures of 1_Eu, 2_Eu, 2_Gd and 3_Eu.

Figure S18. The excitation spectra of 1_Eu and 1_Tb, obtained at room temperature while monitoring the ⁵D₀ → ⁷F₂ and ⁵D₄ → ⁷F₅ transitions of europium(III) and terbium(III) consequently.

Figure S19. The phosphorescence spectra of 1_Gd, 2_Gd and 3_Gd obtained at 77 K under excitation at 330 nm.

Figure S20. The normalized decay curves of 3_Eu (a), 2_Eu (b), 1_Eu (c), 3_Tb (d), 1_Tb (e), 2_Tb (f), 2_Sm (g) and 3_Sm (h) obtained at room temperature while monitoring the ⁵D₀ → ⁷F₂, ⁵D₄ → ⁷F₅ and ⁴G_5/2 → ⁶H_9/2 transitions of europium (III), terbium (III) and samarium (III) ions consequently.

Figure S21. Optimized geometry of Zn₂Gd₂ compound.

Figure S22. Calculated frontier molecular orbitals for S₀ → S1 transition for Zn₂Gd₂ compound.

Figure S23. Optimized geometry of Cd₂Gd₂ compound.

Figure S24. Calculated frontier molecular orbitals with the most contribution in vertical transitions from S₀ to T₁, T₂ and S₁ states for Cd₂Gd₂ compound.

Figure S25. TGA (blue) and DTA (red) curves for complex 2_Eu.

Figure S26. TGA (blue) and DTA (red) curves for complex 3_Eu.

Table S8. Lifetimes (τ_obs), rate constants of radiative (A_rad) and non-radiative (A_nrad) decay, intrinsic ($$$ {Q}_{ln}^{ln} $$$) and overall ($$$ {Q}_{Ln}^L{\mathrm{Q}}_{\mathrm{ln}}^{\mathrm{ln}} $$$) quantum yields.