Copper-sulfide cluster assembled architecture via in situ reaction |
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| Authors: | Hailiang Hu Huan Yang Xiuyan Yang Ran Wang Lan Zhou Yi Dai Ningning Ji Huanjiang Wang Zhiqiang Shi Guoyong Zhou Baokuan Chen Yingchun Luo Chaozheng He |
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| Institution: | Cllege of Chemical Engineering, Guizhou Minzu University, Guiyang 550025, China; College of Chemistry and Chemical Engineering, Taishan University, Tai'an 271021, China; College of Chemistry, Chemical Engineering and Environmental Engineering, Liaoning Shihua University, Fushun 113001, China; Shaanxi KeyLaboratory of Optoelectronic Functional Materials and Devices, School of Materials Science and Chemical Engineering, Xi'an Technological University, Xi'an 710021, China |
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| Abstract: | A new copper-thiolate cluster assembled framework Cu2(μ4-SCH3)Cl]n (1), has been solvothermally synthesized through in situ reaction viz., in situ ligand generation and metal reduction. Compound 1 represents the first 3D framework based on Atlas-sphere functionalized by single μ2-Cl- groups. DOS calculation reveals the interaction of electronic structures. It is found that the HOMO is mainly distributed on Cl, Cu and S bonding orbitals, while the LUMO is dominated by Cu-Cl antibonding orbitals. |
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| Keywords: | Chalcogenide Cluster In situ Assemble Architecture |
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