| Summary: | 碩士 === 輔仁大學 === 化學系 === 90 === In our laboratory, we have done a lot of study on the emission of hydrogen-bonded complex in the past few years. We want to find some regulations for the fluorescence study.
On the first part of my research, we study the fluorescence of these chemical compounds. Although the chemical structure is similar, the excited phenomena of these compounds is very different, in the meantime, we use the molecular calculation (HyperChem) to estimated the shift direction of electron cloud in LUMO state of these compounds. The results show the hydrogen-bonded exciplex formation is observed for compound PVN. More over, we calculated the vibration frequency of the hydrogen-bonded complex, compound PVN and triethylamine which may relate to the intensity of exciplex.
For the second portion of research, we derive the association const for formation of hydrogen bonded complex from the related absorption spectra and emission spectra. In our results, shows that the association constant estimated from emission spectra in various solvent has the most reasonable value according to the variation direction of dielectric constants of the solvents. In the mean while, we use the molecular calculation (Gaussian) to estimated the Gibbs free energy of formation of hydrogen-bonded complex, then convert it to the association constants. At final we verify the dielectric constants to see the variation of association constants.
The association constants from experiment measurement and theory calculation were presented and discussed.
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