A new zero-dimensional(0D) thioborate Ba_9B_3GaS_(15) has been discovered by conventional high-temperature solid-state reaction. The compound crystallizes in orthorhombic space group Pbca with a = 8.4759(8),b = 22.266(2),c = 31.426(3) ?,V = 5931(2) ?~3,Z = 8,Mr = 1819.11,Dc = 4.075 g/cm3,μ = 13.684 mm^(-1),F(000) = 6320,S = 1.034,(Δρ)max = 5.039,(Δρ)min = –5.409 e/?~3,the final R = 0.0362 and w R = 0.1053 for 19243 observed reflections with I > 2σ(I). The structure is constructed by discrete [BS_3]^(3–) trigonal planes and isolated [GaS_4]^(5–) tetrahedra with Ba^(2+) and isolated S^(2–) filled among them. The UV-Vis-near-IR spectrum reveals a wide band gap of 3.15 eV that agrees with the electronic structure calculation.
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Key Laboratory of Optoelectronic Materials Chemistry and Physics, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002, China;
University of Chinese Academy of Sciences, Beijing 100039, China;
机译:Design, Synthesis and Characterization of Novel Sulfonamides Derivatives as Anticancer Agent Targeting EGFR TK, and Development of New Methods of Synthesis by Microwave Irradiation
机译:studies on asymmetric syntheses of Benzophenanthridine alkaloids and the Related spiro Compounds: studies on Chelidonine synthesis and Total synthesis of arnottins I and II