Study On Spectrum Characterisitics And Its Analytical Application Of Supramolecular Host Based On Cucurbit〔n〕urils

The time-dependent density functional theory (TDDFT) is used tooptimize the excited singlet electronic states and calculate theirabsorption spectrums and emission spectrums. Considering thesolvation effect, we employed the polarizable continuum model (PCM)to optimize the geometric structures, the absorption and emissionspectrums of these compounds with ethanol, THF and DMF as thesolvent, respectively. Compared with the experimental results, thepeak values of the calculations basically accord with well with theexperimental results. Tert-butylcalix [4] arene unique hole structureand phosphine hybrid pyrazole combination of single electroncapacity, metal ion coordination modes may be beyond the thephospha pyrazole ligand and tert-butyl-calix [4aromatics and togenerate polynuclear complexes exhibit different from phosphinehybrid pyrazole and tert-butylcalix [4] arene chemical nature, afterthe heavy metal ion coordination modes to open a new situation1.Using a variety of spectroscopic methods and nuclear magnetic resonance methods and a combination of densityfunctional theory are reviewed for the study of the of fluorescencespectroscopy role of supramolecular host. Review of thesupramolecular host compounds Cucurbituril supramolecular mainfluorescence analysis, fluorescence probe method in organicanalysis research progress, and package co-operation with themechanism of the thermodynamic factors and related parameterscomputing introduced.2. Because in the aqueous solution, Palmatine hydrochloride andcucurbit[7]uril (CB[7]) the clathrate can produce strong fluorescenceemission. Further study hydrochloric betahistine(BH) with inclusioncomplex role, The results show that the dramatic betahistine enableinclusion fluorescence quenching.Thereby establishing a novelHydrochloride betahistine high sensitivity of the fluorescence probemethod. Betahistine with fluorescent probe palmatine hydrochlorideClathration the the competitive reaction mechanism.3.Through supramolecular packet cooperation with fenfluraminehydrochloride and palmatine in aqueous solution in CB [7] cavitycompeting reaction. Fenfluramine only weak fluorescence emissionin aqueous solution, and therefore difficult to determine by directfluorescence method. But When Jia Rufen fenfluramine, thefluorescence intensity of the clathrate severe quenching, This is because the the fenfluramine occupied CB [7] of the cavity, makingpalmatine molecules are forced to stay in the water phase. Degree ofquenching of the CB [7]/PAL system and proportional to theconcentration of fenfluramine, pursuant to establish a goodreproducibility and high, fast, sensitive and accurate determinationof the aqueous solution fenfluramine fluorescence spectrometry.4. Based on coptisine with CB [7] intense fluorescence emissionberberine-CB[7] inclusion compound fluorescent severe quenchingDimetachlone make. This research method for determining highsensitivity Dimetachlone compound in dilute solution have verystrong ultraviolet absorption in the near in crops. ExploreDimetachlone fluorescent probe berberine inclusion competitivereaction mechanism. In addition, the use of density functional theorycalculation to explore Dimetachlone-gourd [7] urea inclusion mode.