Synthesis, Structure And Highly Enhanced Phosphorescence Of A Cadmium(Ii) Coordination Polymer Assembled With 1,4-Naphthalenedicarboxylic Acid And 2-Propylimidazole

CHINESE JOURNAL OF STRUCTURAL CHEMISTRY(2021)

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摘要
One cadmium(II) coordination polymer [Cd(1,4-NDC)(PPIM)(2)](n) (1, 1,4-H2NDC = 1,4-naphthalenedicarboxylic acid, PPIM = 2-propylimidazole), has been synthesized under hydrothermal conditions and structurally characterized by elemental analysis, TGA and X-ray single-crystal diffraction. Complex 1 crystallizes in monoclinic with space group P2(1)/n, a = 8.8292(2), b = 16.6936(4), c = 16.7869(4) angstrom, beta = 99.701(2)degrees, V = 2438.86(10) angstrom(3), Z = 4, D-c = 1.489 Mg/m(3), F(000) = 1112, mu = 0.932 mm(-1), S = 1.076, the final R = 0.0360 and wR = 0.0850. In 1, the 1,4-NDC ligand bridges the Cd(II) to form a 1D infinite chain, which are connected through N-H center dot center dot center dot O hydrogen bond to form a 2D layer then to an overall 3D supramolecular structure. The time-resolved measurements indicate that 1 shows highly prolonged phosphorescent lifetime about 452 times in comparison with that of pristine PPIM ligand. Single-crystal analysis and theory calculations indicate that strong coordination bonds and complete separation of HOMOs and LUMOs in the rigid matrix of 1 promote the long-last phosphorescence emission.
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关键词
coordination polymer, crystal structure, room temperature phosphorescence, theory calculations
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