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.