论文部分内容阅读
合成了一种蝎合配体氢三 ( 3 -对甲氧基苯基吡唑 -1 )硼酸钾 KTp An.室温下 ,等物质的量的 KTp An与Cu( O2 CMe) 2 · H2 O在 THF溶液中反应得配合物 [Cu( O2 CMe) ( HB{pz An }3) ]( ) ;KTp An与等物质的量的无水 Cu Cl2 反应则得不同的产物 Cu Cl( pz An H) ( HB{pz An}3) ( ) .对标题化合物进行了元素分析、红外光谱、顺磁共振谱和电化学研究 .配合物 和 的苯溶液的 EPR谱研究表明中心金属铜的基态电子构型为拟轴对称的 {dx2 - y2 }1 . 的 X射线衍射晶体结构分析表明 ,铜离子的配位环境为畸变的四方锥结构 ,与其配位的有配体 Tp An上 3个吡唑氮原子、 3 -对甲氧基苯基吡唑氮原子和 1个氯离子 ,晶体属空间群 P2 1 /c.a=1 .1 64 3 ( 2 ) nm,b=2 .70 81 ( 5) nm,c=1 .4 494 ( 3 ) nm ,β=1 0 5.3 7( 3 )°,V=4 .4 0 66( 1 4 ) nm3,Z=4 ,R=0 .0 60 4 .分子中存在弱的分子内氢键 N— H… Cl,其中 Cl1… N1 =0 .3 0 0 9nm,∠Cl1… H1 B— N1 =1 2 0 .3°
KTp An, a kind of potassium tris (3 - p - methoxyphenylpyrazole - 1) borate, was synthesized. KTp An and Cu (O2 CMe) 2 · H 2 O at room temperature The reaction of Cu (O2 CMe) (HB {pz An} 3)] () with KTp An and the equivalent amount of anhydrous Cu Cl2 yielded different products Cu Cl (pz An H) (HB {pz An} 3) () .The title compounds were characterized by elemental analysis, IR spectra, paramagnetic resonance spectroscopy and electrochemical studies.The EPR spectra of the complexes and benzene solutions showed that the ground state electronic configurations The crystal structure of X - ray diffraction of {dx2 - y2} 1, which is quasi - axisymmetric, shows that the coordination environment of copper ions is a distorted tetragonal pyramidal structure with the coordination of three pyrazole nitrogen atoms , 3 - p - methoxyphenyl pyrazole nitrogen atom and one chloride ion, the crystal belongs to the space group P2 1 / ca = 1.643 (2) nm, b = 2.7081 = 1.4944 (3) nm, β = 1 0 5.37 (3) °, V = 4.4066 (1 4) nm3, Z = 4, R = 0. Intramolecular hydrogen bond N- H ... Cl, where Cl1 ... N1 = 0. 3009nm, ∠Cl1 ... H1 B-N1 = 120.3 °