Study On The Self-Assembly And Weak Interactions Of Copper(?) Complexes With CBn

Cucurbituril (CB6) is a unique pumpkin-shaped organic macrocyclic molecule, It is a new type of supramolecule which is widespread concern after cyclodextrin, crown ether and calixarene. CBn is compound by glycoluril unit which is synthesized by urea and glyoxal under the action of concentrated hydrochloric acid, and self-assembled via annular, hexameric cyclization of glycoluril units in terms of acid-catalyzed condensation reaction. In the past decade, CB6 has found various encouraging uses as a synthetic receptor, in particular in the host-guest chemistry and structure construction aspects. Nevertheless, so far, the host-guest chemistry by using the cavity of CB6 has been detailedly studied, but The chemical behavior of the convex-shaped outer walls of CB6 and investigations of weak interactions that assemble with the metal coordination compound have remains unknown. Therefore, It has important scientific significance for Researching and developing the functional materials of CB6-transition metal complexes hybrid assembly and enriching CB6 coordination supramolecular chemistry.In this paper, we have successfully synthesized a template complex CB6 and other two novel supramolecular architectures:[Na2(CB6)(H2O)6(H2?-2O)2Cu(Hqs)2] · 6H2O (1), which using the rigid structure and convex-shaped outer walls of CB6 conducts shape match,on the basis of our research work,and Study the super molecular structure and the weak interaction model.The X-ray analyses showed that complex was crystallized in Triclinic, PI space group, a= 11.843(2), b= 12.381(3), c= 15.328(3) A, ?= 110.884(4),?= 112.428(4), ?= 91.520(3)°, V= 1906.3(7) A3, Z= 1, Dcalcd(g· cm-3)= 1.572,?(mm-1)= 0.459, R1[I>2?(I)]= 0.0489 and wR2 (all data)= 0.1612. The crystal structure of the complexes 1 shows that the asymmetric structure unit is composed by half of the Anionic compounds, a part of CB6 and two carbonyl oxygen atoms of the port, form ligand structure through sodion,which coordinates with the two carbonyl oxygen atoms, and the water molecule which coordinates with sodion coordinates with copper ion, Form a linear chain of polymeric coordinate structure. In the coordinate linear chain, Hqs and the half urea unit of the CB6 and between the CB6 and CB6 formed the aromatic stacking effect, which Increases the stability of the chain structure, the complex formed a unique supramolecular structure through molecular recognition and shape matching.In this article,we took advantage of CB6, CB7 hydrophobic cavity, the properties of port high polar carbonyl openings, as well as their port of different size, we analyzed molecular recognition of histidine copper(?) complexes and CBn macrocyclic, the coordinate, inclusive, competitive system of histidine copper(?) complexes by the UV spectrum under the condition of different pH.The results of the article has important significance for molecular recognition and supramolecular self-assembly of CBn research.