摘要
合成了2例Cu(Ⅱ)的纯手性同质多晶[CuL_2(Phen)](HL=邻苯二甲酰-L-丙氨酸,Phen=1,10-菲咯啉),并对其进行了表征。X射线单晶衍射测定表明,邻苯二甲酰-L-丙氨酸在2例配合物中采取了相同的配位方式,Cu(Ⅱ)原子具有变形的八面体配位环境,分别和2个邻苯二甲酰-L-丙氨酸离子上的2个羧基氧原子,1个1,10-菲咯啉的2个氮原子配位。不同的是这2例同质多晶显示出不同的颜色,并且配合物1属于单斜晶系,C2空间群,配合物2属于正交晶系,P2_12_12_1空间群。配合物1通过π…π堆积作用形成一维链状结构,配合物2是简单小分子结构。此外,DFT理论研究表明,配合物1具有较低的能量,稳定性更高。
Two isomers of novel homochiral coordination compound[CuL2（Phen）] （HL=N-phthalyl-L-alanine, Phen=1,10-phenathroline） have been synthesized simultaneously and structurally characterized by elemental analyses, IR and single crystal X-ray diffraction. The two polymorphs 1 and 2 exhibit different colors. HL in these two complexes adopts same conformations, the molecular structures vary only slightly between the two forms. Cu（Ⅱ） ions are all distorted octahedral geometry and coordinated by two pairs of oxygen atoms from two L and two nitrogen atoms from one Phen in complexes 1 and 2, with a monoclinic space group C2 and an orthorhombic space group P212121, respectively. Complex 1 is self-assembled to form 1D double chains through π…π stacking interactions of the aromatic rings of L ligands from two adjacent structures, with face-to-face distances of ca. 0.366 4 nm. There is no stacking in the structure of complex 2. Furthermore, the DFT theoretical calculation shows that complex 1 is lower in energy and more stable than 2.
出处
《无机化学学报》
SCIE
CAS
CSCD
北大核心
2018年第1期83-91,共9页
Chinese Journal of Inorganic Chemistry
基金
河北省自然科学基金(No.B2012205040)
河北师范大学基金(No.L2016K03)资助项目
