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.

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