A new iodoplumbate polymer incorporating copper iodide complex cation {[Cu（Ⅱ）（bipy）2I][PbI3]（H2O）2}n 1（bipy = 2,2＇-bipyridine） has been synthesized and structurally determined.It crystallizes in the triclini...A new iodoplumbate polymer incorporating copper iodide complex cation {[Cu（Ⅱ）（bipy）2I][PbI3]（H2O）2}n 1（bipy = 2,2＇-bipyridine） has been synthesized and structurally determined.It crystallizes in the triclinic system,space group P1 with a = 7.979（4）,b = 14.538（11）,c = 15.853（8）,α = 110.77（2）,β = 97.955（18）,γ = 104.88（2）°,V = 1607.3（17）3,Z = 2,C20H16CuI4N4O2Pb,Mr = 1122.72,Dc = 2.320 g/cm3,F（000） = 1006,μ（MoKα） = 9.753,the final R = 0.0627 and wR = 0.1741 for 4846 observed reflections with Ⅰ 〉 2σ（Ⅰ）.Structural analysis indicates that 1 consists of 2-D {[Cu（Ⅱ）（bipy）2I]}nn＋ cation layers（based on π-π interaction and hydrogen bonds） and [PbI3]nn-polyanions.The C-H···I hydrogen bonds between {[Cu（Ⅱ）（bipy）2I]}nn＋ cation layers and [PbI3]nn-polyanions lead to the formation of an interesting 3-D network.Optical absorp-tion spectrum indicates that 1 is a semiconductor,which is further validated by DFT calculation.Its electronic structure is also discussed.展开更多
基金Supported by the National Natural Science Foundation of China (No. 20901017)Innovation Fund for Young Scientist of Fujian Province (2007F3049)+1 种基金Specialized Research Fund for the Doctoral Program of Higher Education of China (20093514120003)Sci. & Tech. Promotion Foundation of Fuzhou University (2009-XQ-08)
文摘A new iodoplumbate polymer incorporating copper iodide complex cation {[Cu（Ⅱ）（bipy）2I][PbI3]（H2O）2}n 1（bipy = 2,2＇-bipyridine） has been synthesized and structurally determined.It crystallizes in the triclinic system,space group P1 with a = 7.979（4）,b = 14.538（11）,c = 15.853（8）,α = 110.77（2）,β = 97.955（18）,γ = 104.88（2）°,V = 1607.3（17）3,Z = 2,C20H16CuI4N4O2Pb,Mr = 1122.72,Dc = 2.320 g/cm3,F（000） = 1006,μ（MoKα） = 9.753,the final R = 0.0627 and wR = 0.1741 for 4846 observed reflections with Ⅰ 〉 2σ（Ⅰ）.Structural analysis indicates that 1 consists of 2-D {[Cu（Ⅱ）（bipy）2I]}nn＋ cation layers（based on π-π interaction and hydrogen bonds） and [PbI3]nn-polyanions.The C-H···I hydrogen bonds between {[Cu（Ⅱ）（bipy）2I]}nn＋ cation layers and [PbI3]nn-polyanions lead to the formation of an interesting 3-D network.Optical absorp-tion spectrum indicates that 1 is a semiconductor,which is further validated by DFT calculation.Its electronic structure is also discussed.
