Synthesis, Structure, Luminescence and Theoretical Investigations on a New Tin Complex with (2,3-f)-pyrazino(1,10)phenanthroline-2,3-dicarboxylic Acid |
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Authors: | CHEN Hui-Fen WU Xiao-Yuan ZHANG Qi-Kai YONG Jian-Ping DUI Xue-Jing LU Can-Zhong |
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Affiliation: | 1. State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002, China;Graduate University of Chinese Academy of Sciences, Beijing 100039, China 2. State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002, China |
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Abstract: | 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. |
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Keywords: | tin complex crystal structure luminescence theoretical calculations |
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