摘要
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 3 D framework based on Atlas-sphere functionalized by singleμ2-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.
基金
the National Natural Science Foundation of China(Nos.21861012 and 21603109)
the Henan Joint Fund of the National Natural Science Foundation of China(No.U1404216)
the Natural Science Foundation of Guizhou Education Commission(Nos.2018148 and 2018016)
Guizhou Science&Technology Commission(Nos.20201Z005,20191157 and 20191156)
the Natural Science Foundation of Shandong Provinceof China(No.ZR2016BM14)
Tai’an Science&Technology Project(No.2016GX1046)
the Postgraduate Foundation of Taishan University(No.Y2015-1-011)
the Natural Science Foundation of Guizhou Minzu University(No.GZMU2019YB06)
the Natural Science Foundation of Liaoning Shihua University(No.2019XJJL019)。
