新型混价铜配合物[Cu^ⅠCu^Ⅱ（Ophen）2Cl]·H2O（HOphen=2-羟基-1，10-邻菲咯啉）的水热合成和晶体结构  

Hydrothermal Synthesis and Crystal Structure of a New Mixed-valent Copper Complex [Cu~ⅠCu~Ⅱ(Ophen)_2Cl]·H_2O (HOphen=2-Hydroxy-1,10-phenanthroline)

作　　者：德格吉乎[1] 黄如丹[1] 李阳光[1] 王恩波[1] 胡长文[1] 许林[1] 

机构地区：[1]东北师范大学化学学院,多酸化学研究所,长春130024

出　　处：《高等学校化学学报》2004年第2期212-215,共4页Chemical Journal of Chinese Universities

基　　金：国家自然科学基金 (批准号 :2 0 1710 10 )资助

摘　　要：报道了一种新型混价铜配合物 [Cu Cu ( Ophen) 2 Cl]· H2 O( HOphen=2 -羟基 -1 ,1 0′-邻菲咯啉 )的水热合成和晶体结构 .该化合物属于三斜晶系 ,P1空间群 ,a=0 .91 667( 1 8) nm,b=1 .0 5 46( 2 ) nm,c=1 .1 70 5 ( 2 ) nm,α=80 .5 0 ( 3 )°,β=80 .5 6( 3 )°,γ=66.87( 3 )°,V=1 .0 2 0 2 ( 3 ) nm3,Z=2 ,Dc=1 .872 Mg/m3,R1 =0 .0 5 0 8,( w R2 ) =0 .1 481 .标题化合物由一种新型的双核铜配合物和一个结晶水组成 .邻菲咯啉在水热反应中发生羟基化 ,形成新型的羟基化邻菲咯啉 .两个这样的配合物通过 Cu…Cu间的范德华力相互作用形成二聚体 .二聚体之间通过 Ophen基团的 π-π堆积以及 C—H… Cl弱相互作用构筑成三维超分子网络 .水分子处于网络的孔穴中 .A new mixed-valent copper complex [Cu ⅠCu Ⅱ(Ophen)_2Cl]·H_2O(HOphen=2-hydroxy-1,10-phenanthroline) was hydrothermally synthesized and its structure was characterized by the single crystal X-ray diffraction. The compound crystallizes in the triclinic system, space group P1 with a= 0.916 67(18) nm, b=1.054 6(2) nm, c=1.170 5(2) nm, α=80.50(3)°, β=80.56(3)°, γ=66.87(3)°, V= 1.020 2(3) nm 3, Z=2, D_c=1.872 Mg/m 3, R_1(wR_2)=0.050 8(0.148 1). The title compound consists of a new dinuclear copper complex [Cu ⅠCu Ⅱ(Ophen)_2Cl]·H_2O and one crystal water. Furthermore, two such complexes form a dimer via the van der Waals interactions between Cu…Cu centers. Furthermore, such dimers are stacked into a 3D supramolecular frameworks via the π-π interactions between adjacent Ophen groups and the weak C—H…Cl intermolecular forces. The water molecules are resided into the cavities of the frameworks.

关 键 词：混价铜配合物 [Cu^ⅠCu^Ⅱ(Ophen)2Cl]·H2O 羟基化邻菲咯啉 水热合成 晶体结构 螯合配体邻菲咯啉 

分 类 号：O614.121[理学—无机化学] O641.4[理学—化学]