Coordination polymer based on cyano: Synthesis, crystal structure, and fluorescence |
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Authors: | Zhen-Lan Fang |
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Institution: | State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, the Chinese Academy of Sciences, Fuzhou, Fujian 350002, PR China |
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Abstract: | One novel 2-D polythreading framework named as Cu3(CN)3(NH3)] (1), was obtained through the self-assembling of CuCN under hydrothermal reaction. It is remarkable that there is a 26-membered Cu10(CN)8] decanuclear metallamacrocycle with the effective size of ca. 16.8×6.83 Å2 along the a-axis. These 2-D layers stack in an ··ABAB···staggered fashion, with the lateral {(CN)Cu3(NH3)} moieties of each layer inserting into the voids of the decanuclear metallamacrocycles from two adjacent layers. Optical diffuse reflectance spectrum and the result of DFT calculation reveal that 1 is potential direct semiconducting material. In the solid state at room temperature, 1 shows bright yellow fluorescence under ultraviolet light illumination. Its emissive excited state is primarily attributed to the LMCT, LLCT and 3MMLCT] excited state, based on the result of DFPT calculation. |
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Keywords: | Cyano Coordination polymer Network Fluorescence DFT calculation |
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