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Studies on Supra-molecular Interactions in Complexes with Isoquinoline Ligands

Author: LiMengZuo
Tutor: XuDuanJun
School: Zhejiang University
Course: Physical and chemical
Keywords: Supra-molecule π-π stacking Hydrogen bonding Isoquinoline Transitional metallic compound
CLC: O641.4
Type: Master's thesis
Year: 2011
Downloads: 3
Quote: 0
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Abstract


As we know more about molecules, it’s found that the properties and functions of chemical material are not only dependent on molecular nature, but still related to accumulative forms of regulation and gradation, or supra-molecular system. Supra-molecular chemistry focus on non-covalent interactions: Hydrogen bonding, π-π stacking, hydro-phoblic interaction, cation-π interaction, etc., to investigate how to realize fold micro-molecules into macro-molecules and supra-molecules from OD forms to1D,2D and even3D forms. Based on the cooperation between non-covalent interactions, strong interactions with directionality and strength are formed, which contributes to higher molecular regulation and compactness and gives molecules some biological, medical, material applications.In this paper, CoⅡ, CuⅡ, ZnⅡ were chosen as central ions, with isoquinoline as neutral ligands and acetic acid, phenylacetic acid, succinic acid as anionic ligands, by reflux and solution mixing methods, and finally (compound1],[Cu2(C8H7O2]4(C9H7N)2](compound Ⅱ),(H2O)2]n(compound Ⅲ),[ZnCl2(C9H7N2](compound IV) were synthesized as crystals from OD to3D forms.This paper discusses on supra-molecular forms in the structures of these four compounds and the influence of these kinds of supra-molecular interactions on the topological structure of the compounds, after determining the structures of these compounds by single crystal X-ray diffraction method and analyzing the datas by certern computer softwares.π-π aromatic stacking and the face-to-face distances highly relates to ligands choices and coordinative forms. The anionic ligand who has larger steric hindrance leads to more difficulties of aromatic stacking. What’s more, compared with the distorted octahedral geometry of CoⅡ compound and the tetrahedral geometry of ZnⅡ compound, the distorted square-pyramidal and centrosymmetric dinuclear geometry of CuⅡ compounds inhibits aromatic stacking in some degrees.Hydrogen bonding is capable to stabilize and regulate coordinative compounds. The three types of H-bonding in compound Ⅲ with π-π stacking together play important roles in forming the polymeric chains structure and make it stable and compact.Based on research in supra-molecular system which took isoquinoline as neutral ligands, this paper has experimental meaning of studying on π-π stacking and Hydrogen bonding, which also can be reference for exploring the nature of supra-molecular interactions.

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CLC: > Mathematical sciences and chemical > Chemistry > Physical Chemistry ( theoretical chemistry ),chemical physics > Structural Chemistry > Complex chemistry ( coordination chemistry )
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