Electronic Structure of Square Planar Bis(benzene-1,2-dithiolato)metal Complexes [M(L)<sub>2</sub>]<i><sup>z</sup></i> (<i>z</i> = 2−, 1−, 0; M = Ni, Pd, Pt, Cu, Au): An Experimental, Density Functional, and Correlated ab Initio Study
作者:Kallol Ray、Thomas Weyhermüller、Frank Neese、Karl Wieghardt
DOI:10.1021/ic0507565
日期:2005.7.1
The three diamagnetic square planar complexes of nickel(II), palladium(II), and platinum(II) containing two S,S-coordinated 3,5-di-tert-butylbenzene-1,2-dithiolate ligands, (L(Bu))(2-), namely [M(II)(L(Bu))(2)](2-), have been synthesized. The corresponding paramagnetic monoanions [M(II)(L(Bu))(L(Bu)(*))](-) (S = (1)/(2)) and the neutral diamagnetic species [M(II)(L(Bu)(*))(2)] (M = Ni, Pd, Pt) have
镍(II),钯(II)和铂(II)的三个抗磁方形平面络合物,含两个S,S配位的3,5-二叔丁基苯-1,2-二硫代酸酯配体,(L(Bu ))(2-),即已合成[M(II)(L(Bu))(2)](2-)。相应的顺磁性单阴离子[M(II)(L(Bu))(L(Bu)(*))](-)(S =(1)/(2))和中性抗磁性物质[M(II)( L(Bu)(*))(2)](M = Ni,Pd,Pt)也已在溶液或固态下生成为[N(n-Bu)(4)] [M(II)( L(Bu))(L(Bu)(*))]盐。还研究了相应的配合物[Cu(III)(L(Bu))(2)](-)。配合物已通过紫外可见光谱,红外和EPR光谱以及X射线晶体学进行了研究。报告了它们的电化学和磁化学。电子转移序列[M(L(Bu))(2)](2-,-,0)被证明是基于配体的形式,在单阴离子中形式上一个(L(Bu)(*))(-)pi自由基或在中性物种[M(II)(L(Bu)(*))(2