摘要
合成了双核配合物 {Cu2 (tacn) 2 [μ (MeN) 2 C2 O2 ]} [(MeNH) 2 C2 O2 ](ClO4 ) 2 (tacn =1,4,7 三氮杂环壬烷 ) .通过元素分析、红外光谱、ESR谱和电子光谱对配合物进行表征 ,并利用单晶X射线衍射法测定其结构 .晶体属单斜晶系 ,空间群为P2 1/n ,a =0 .72 5 72 (16 )nm ,b =2 .5 6 16 (6 )nm ,c =0 .912 8(2 )nm ,β =90 .0 96 (5 )°,V =1.6 96 9(7)nm3 ,Dcald=1.5 90Mg·m-3 ,Z =2 ,F(0 0 0 ) =840 ,R1=0 .0 5 2 9,wR2 =0 .134 1,Gof=1.0 2 8,Δρ =6 32～ - 390e·nm-3 .晶体由中心对称的双核Cu单元、中性草酰胺分子及高氯酸根堆积而成 .两个铜原子配位数为五 ,处于变形四方锥的配位环境中 .在 5～ 30 0K范围内磁性测定表明 :配合物中存在反铁磁偶合相互作用 ,经理论拟合 :g =1.98,J =- 2 19cm-1.
A binuclear copper(Ⅱ) compound, {Cu 2(tacn) 2[μ-(MeN) 2C 2O 2]} [(MeNH) 2C 2O 2] (ClO 4) 2 (tacn=1,4,7-triazacyclononane) has been synthesized and characterized by IR, elemental analysis, ESR, electronic spectrum and X-ray diffraction. Crystal data: monoclinic, space group P2 1/n, a=0.725 72(16) nm, b=2.561 6(6) nm, c=0.912 8(2) nm, β=90.096(5)°, V=1.696 9(7) nm 3, D cald=1.590 Mg·m -3, Z=2, F(000)=840, R 1=0.052 9, wR 2=0.134 1, Gof=1.028, Δρ=632～-390 e·nm -3. The complex is packed by one centrosymmetry binuclear copper unit, neutral oxalamide molecule and ClO - 4 anion. In the molecule of the complex, two Cu(Ⅱ) ions are all five coordinate with distorted squarepyramid configuration. The magnetic susceptibilities (5～300 K) indicated that the binuclear(Ⅱ) cores were antiferromanetic coupling (J=-219 cm -1, g=1.98).
出处
《化学学报》
SCIE
CAS
CSCD
北大核心
2002年第2期293-297,共5页
Acta Chimica Sinica
基金
国家自然科学基金 (No .2 0 1710 2 6 )资助项目
