Synthesis, crystal structure, and optical property of a one-dimensional selenidostannate: [AEPPH2]2[Sn5Se12] (AEPP = N-aminoethylpiperazine)

•[Sn5Se14] unit composed of SnSe6 octahedrons and SnSe4 tetrahedrons with three type of distinct linkage modes was formed.•It is a rare example that the co-existence of SnSe4 and SnSe6 in chalcogenidometalates under solvothermal condition.•A 1-D anionic infinite chain is assembled based on [Sn5Se14] unit via a double Sn-(μ2-Se)-Sn linkage mode.•A pseudo 3-D network is formed through N–H ⋅⋅⋅ Se and C–H ⋅⋅⋅ Se hydrogen bonds between adjacent chains.•Compound 1 is a semiconductor material. Its optical property and the electronic structure calculation have been studied.

A one-dimensional (1-D) selenidostannate, [AEPPH2]2[Sn5Se12] (AEPP = N-aminoethylpiperazine) (1), has been prepared under solvothermal condition and characterized. Single crystal X-ray analysis reveals that compound 1 crystallizes in the triclinic space group P-1, a = 10.6351(7) Å, b = 10.6850(7) Å, c = 10.7771(7) Å, α = 61.3440(10)°, β = 62.4420(10)°, γ = 67.4680(10). With distinct linkage modes between SnSe4 tetrahedrons and SnSe6 octahedrons, a secondary building unit (SBU) [Sn5Se14] is formed. Compound 1 contains infinite bead-like chains built up by the [Sn5Se14] SBUs, and the protonated [AEPPH2]2 + cations are located between the chain spaces. A pseudo 3-D network is formed through C–H···Se and N–H···Se hydrogen bonds between adjacent chains. Its optical property and theoretical band structure and density of state (DOS) calculations have also been studied.

Graphical abstractA one-dimensional (1-D) selenidostannate based on [Sn5Se14] SBUs was synthesized and structurally characterized.Figure optionsDownload full-size imageDownload as PowerPoint slide