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A new tin complex Sn(CH3 HPPDA)Cl4 (1) was prepared from SnCl4·5H2O with (2,3-f)-pyrazino(1,10)phenanthroline-2,3-dicarboxylic acid (H2PPDA) by solvothermal reaction in methanol, and characterized by single-crystal X-ray diffraction analysis, optical absorption spectrum and photoluminescence. Compound 1 crystallizes in a monoclinic centrosymmetric space group of P21/c with a = 12.418(2), b = 11.9467(12), c = 15.845(3), β= 107.948(7)°, V = 2236.2(6)3 , Z = 4, Mr = 594.78, Dc = 1.767 g/cm3 , μ= 1.651 mm-1 , F(000) = 1160, S = 1.023 and T = 293(2) K. The final R = 0.0847 and wR = 0.2431 for 3144 observed reflections with Ⅰ > 2σ(Ⅰ). The discrete mononuclear Sn(CH 3 HPPDA)Cl 4 complex is connected into a supramolecular network of 1 by intramolecular and intermolecular C-H···Cl and intermolecular C-H···O hydrogen bonding interactions. Compound 1 displays fluorescence with a lifetime value of about 7.58 ns in the visible region under visible-light excitation, and the origin of the luminescent emission is primarily assigned to the combination of intraligand charge-transfer of CH3 HPPDA and Cl--to-CH 3 HPPDA charge-transfer mechanism which is probed by the density of states (DOS) calculations.
A new tin complex Sn (CH3 HPPDA) was prepared from SnCl4 · 5H2O with (2,3-f) -pyrazino (1,10) phenanthroline-2,3- dicarboxylic acid (H2PPDA) by solvothermal reaction in methanol , and characterized by single-crystal X-ray diffraction analysis, optical absorption spectrum and photoluminescence. Compound 1 crystallizes in a monoclinic centrosymmetric space group of P21 / c with a = 12.418 (2), b = 11.9467 (12), c = 15.845 (3) β = 107.948 (7) ° V = 2236.2 (6) 3 Z = 4 Mr = 594.78 Dc = 1.767 g / cm3 μ = 1.651 mm-1 F , S = 1.023 and T = 293 (2) K. The final R = 0.0847 and wR = 0.2431 for 3144 observed reflections with I> 2σ (I). The discrete mononuclear Sn (CH 3 HPPDA) Cl 4 complex is connected into a supramolecular network of 1 by intramolecular and intermolecular CH ··· Cl and intermolecular CH ··· O hydrogen bonding interactions. Compound 1 displays fluorescence with a lifetime value of about 7.58 ns in the visible region under visible-light excitation, and the orig in of the luminescent emission is assigned to the combination of intraligand charge-transfer of CH3 HPPDA and Cl - to-CH3 HPPDA charge-transfer mechanism which is probed by the density of states (DOS) calculations.