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

A one-dimensional (1-D) selenidostannate, [AEPPH 2 ] 2 [Sn 5 Se 12 ] (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 SnSe 4 tetrahedrons and SnSe 6 octahedrons, a secondary building unit (SBU) [Sn 5 Se 14 ] is formed. Compound 1 contains infinite bead-like chains built up by the [Sn 5 Se 14 ] SBUs, and the protonated [AEPPH 2 ] 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. [ABSTRACT FROM AUTHOR]