Experimental And Theoretical Research On Synthesis,Characterization,Properties Of Ligands And Their Complexes Including Nitrogen And Sulfur

The supramolecular chemistry of coordination compounds is one of the most active research fields in modem science. Because Nitrogen and Sulfur are good coordinated atoms, taking part in the formation of hydrogen bands, and can be used to assemble lots of coordination compounds which have new construction and special function.With the development of the theoretical chemistry, chemistry has turned from traditional experimental science into the crossing science combining between chemical experiments and theories. Based on the experimental results, the theoretical chemist can explain the properties of materials, and further more predict the experimental results of unknown materials. The novel structural coordination compounds with nitrogen and sulfur have been synthesized via molecular design, self-assembly. Also, the properties of the coordination compounds be explained using quantum chemical method. Main contents are as followed: The thesis is totally divided into four chapters.In the first chapter, based on the general investigation of literatures, the supramolecular coordination compounds with nitrogen and sulfur are described in order to make up molecular designing, self-assembly more easily.In the second chapter, the coordination compounds with nitrogen and sulfur are synthesized , three of them were obtained in form of single crystals, which have been characterized by IR, EMS, Elemental Analysis, NMR, and single crystal X-ray diffraction analysis.In the third chapter, based on the data from testing of the compounds, the linear (electronic spectra and fluorescent spectra) and nonlinear optical properties determined by Z-scan method for the compounds have been studied.In the fourth chapter, using theoretical calculation, the properties of the compounds are investigated including IR, NMR, absorption and fluorescence spectra based on experimental results above.In summary, the coordination compounds with nitrogen and sulfur aresynthesized and studied by combining experimental results and theoretical calculation.