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)[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) angstrom, b = 10.6850(7) angstrom, c = 10.7771(7) angstrom, alpha = 61.3440(10)degrees, beta = 62.4420(10)degrees, gamma = 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 [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. (C) 2015 Elsevier B.V. All rights reserved.