Redox reaction of a mixture of CuC12·2H2O, HaPO3 and dpatrz （3,5-dipropyl- 4-amino-1,2,4-triazole） at room temperature yields one new compound, [Cu（1）（/.t2-dpatrz）aCu（1）CI2], with two independent cis- and...Redox reaction of a mixture of CuC12·2H2O, HaPO3 and dpatrz （3,5-dipropyl- 4-amino-1,2,4-triazole） at room temperature yields one new compound, [Cu（1）（/.t2-dpatrz）aCu（1）CI2], with two independent cis- and trans-propyl side chain molecules. Compound 1 crystallizes in monoclinic, space group P21/c with a = 7.474（1）, b = 17.807（1）, c = 18.851（1） A, β = 108.32（1）°, V = 2381.7（2） A3, Z = 4, C16H32CI2Cu2Ns, Mr = 534.48, Dc = 1.491 g.cm-3,μ = 2.03 mm-1, F（000） = 1104, GOOF = 1.050, the final R = 0.0445 and wR = 0.1162 for 3162 observed reflections （I 〉 2σ（I））. Compound 1 shows discrete dimeric structures （A and B） containing inversion centers and the Cu（l） ions are coordinated in triangle geometries. The isomers are connected by N-H…CI hydrogen bonds, chains with graph-set C（7） and rings R22（14） and C-H..＇Jr interactions into stair-step chains （Tapes A and B） running parallel to the [01-1] direction. The N-H…C1 hydrogen bonds result in chain and cyclic structures with graph-sets C22（17） and R34（18） linking tapes A and B to form two-dimensional networks along the [031] direction. Packing of crystal 1 is stabilized by rings R34（18） and weak C-H…C1 hydrogen bonds parallel to the [01-2] direction. Bond valence sum （BVS） and UV-Vis absorption spectra support the existence of Cu（I） ions. Compound 1 exhibits extensive green blue phosphorescence in the solid state at room temperature.展开更多
基金Supported by the National Natural Science Foundation of China(Nos.21171109&21271121)SRFDP(Nos.20111401110002&20121401110005)Shanxi Scholarship Council of China(2012-004&2013-026)
文摘Redox reaction of a mixture of CuC12·2H2O, HaPO3 and dpatrz （3,5-dipropyl- 4-amino-1,2,4-triazole） at room temperature yields one new compound, [Cu（1）（/.t2-dpatrz）aCu（1）CI2], with two independent cis- and trans-propyl side chain molecules. Compound 1 crystallizes in monoclinic, space group P21/c with a = 7.474（1）, b = 17.807（1）, c = 18.851（1） A, β = 108.32（1）°, V = 2381.7（2） A3, Z = 4, C16H32CI2Cu2Ns, Mr = 534.48, Dc = 1.491 g.cm-3,μ = 2.03 mm-1, F（000） = 1104, GOOF = 1.050, the final R = 0.0445 and wR = 0.1162 for 3162 observed reflections （I 〉 2σ（I））. Compound 1 shows discrete dimeric structures （A and B） containing inversion centers and the Cu（l） ions are coordinated in triangle geometries. The isomers are connected by N-H…CI hydrogen bonds, chains with graph-set C（7） and rings R22（14） and C-H..＇Jr interactions into stair-step chains （Tapes A and B） running parallel to the [01-1] direction. The N-H…C1 hydrogen bonds result in chain and cyclic structures with graph-sets C22（17） and R34（18） linking tapes A and B to form two-dimensional networks along the [031] direction. Packing of crystal 1 is stabilized by rings R34（18） and weak C-H…C1 hydrogen bonds parallel to the [01-2] direction. Bond valence sum （BVS） and UV-Vis absorption spectra support the existence of Cu（I） ions. Compound 1 exhibits extensive green blue phosphorescence in the solid state at room temperature.
