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为研究吡唑硼类配体的配位行为,合成了三(3,5-二甲基吡唑氢合硼酸钾[KHB(G_5H_7N_2)_3],简称(KL)和双[三(3,5-二甲基吡唑)氢合硼酸根]合铜(Ⅱ){Cu[HB(C_5H_7N_2)_3]_2},简称(CuL_2),并测定了它们的晶体结构。化合物KL属空间群P2_1/n。a=1.0527(8),b=0.9464(3),c=1.7730(9)nm,β=94.51(5)°,Z=4,D_0=1.268g·cm~(-3),R=0.079。化合物CuL_2属空间群PI,a=0.8768(1),b=1.0170(2),c=1.0859(1)nm,a=62.45(1),β=83.78(1),γ=78.52(1)~°,Z=2,D_0=1.298g·cm~(-3),R=0.062。晶体结构测定结果表明:化合物KL由钾离子和配体负离子组成,K~+与配体L中的B原子相距0.3634nm,在配体负离子中B原子与三个吡唑环的N原子及H原子形成四面体构型。化合物CuL_2由孤立分子组成,铜离子处于分子的对称中心且与两个配体分子中的六个N原子形成六配位的八面体构型,并表现出明显的Jahn-Teller效应。
In order to study the coordination behavior of pyrazole boron ligands, we synthesized potassium tris (3,5-dimethylpyrazolylhydrogen borate [KHB (G_5H_7N_2) _3], abbreviation (KL) and bis (Ⅱ) {Cu [HB (C_5H_7N_2) _3] _2}, abbreviation (CuL_2) were synthesized and their crystal structures were determined. The compounds KL belong to space group P2_1 / n (A) = 1.0527 (8) b = 0.9464 (3) c = 1.7730 (9) nm β = 94.51 (5) ° Z = 4 D_0 = 1.268g · cm -3, R = . The compound CuL_2 belongs to space group PI, a = 0.8768 (1), b = 1.0170 (2), c = 1.0859 (1) nm, a = 62.45 (1), β = 83.78 (1), γ = 78.52 The results of crystal structure determination show that the compound KL is composed of potassium ions and ligand anions, and K ~ + and B At the distance of 0.3634 nm, the B atom in the anion of the ligand forms a tetrahedral configuration with the N atom and the H atom of the three pyrazole rings. The compound CuL_2 is composed of isolated molecules with copper ions in the center of symmetry of the molecule and with two ligands The six N atoms in the molecule form a hexacoordinated octahedral configuration and show a pronounced Jahn-Teller effect.