环已基膦二碳十硼烷镍金属配合物的晶体结构

Crystal Structure of Nickel(Ⅱ) Complexes Containing 1,2-bis(dicyclohexylphosphino)-1,2-dicarba-closododecaborane Ligand

合成了[NiCl_2{1,2-(PCy_2)_2-1,2-C_2B_(10)H_(10)}]·CH_2Cl_2(1),邻位二(二环已基膦)二碳十硼烷镍金属配合物,并通过元素分析、红外光谱、核磁共振谱和单晶体衍射等手段对其进行了表征。配合物1是单核镍的金属配合物,单晶结构解析表明:镍离子的配位环境是扭曲的平面方形,其中两个配位原子是邻位二碳十硼烷配体中两个磷原子,另外两个配位原子是两个氯原子,分子中还存在二氯甲烷溶剂分子。晶体属于正交晶系,空间群为Pna2(1),a=24.402(18),b=8.457(6),c=37.29(3),α=90.00°,β=90.00°,γ=90.00°,V=7696(9)nm3,Z=8,R1=0.2449,wR2=0.5426。借助于分子间的双氢键C-H…H-B作用,配合物形成一维超分子结构。

The new nickel complex containing 1,2 - bis （ dicyclohexylphosphino ） - 1,2 - dicarba- closododecaborane ligand was synthesized and characterized by element analysis, IR spectroscopies and 1H NMR. The molecular structure was determined by single crystal X-ray diffraction analysis. Complex 1 crystallized in the orthorhombic space group Pna2（ 1 ） with eight formula units in the unit cell. The environment of the Ni atom was four coordinates, in which two positions were occupied by the chelating closo diphosphine ligand 1,2-（PCyz）2-1,2-C2B10H10, and the other two csme from the two chlorine atoms at cis position. The crystal parameters of the complex was a=24.402（18）,b=8.457（6）,c=37.29（3）,α=90.00°,β=90.00°,γ=90.00°,V=7696（9）nm3,Z=8,R1=0.2449,wR2=0.5426. The adjacent molecules were linked into 1 D chain through the dihydrogen bond.