Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1237084 | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy | 2009 | 7 Pages |
Abstract
The formation of tolmetin/N-acetyl-l-tyrosine ethyl ester (ATEE) complex has been reported by means of both theoretical and experimental studies, including quantum mechanical calculations as well as UV-vis absorption, fluorescence and time-resolved spectroscopy measurements. It has been found that the fluorescence of ATEE is quenched due to the formation of a non-fluorescent complex between ATEE and tolmetin in the ground state. The geometrical parameters of ATEE/tolmetin complex have been determined with the use of the DFT method applying the B3LYP correlation-exchange functional and 6-31G(d) basis set. The results of experiments indicated the static ATEE quenching by tolmetin. Additionally, the experimental and theoretically predicted Gibbs free energy of complexation has been calculated.
Related Topics
Physical Sciences and Engineering
Chemistry
Analytical Chemistry
Authors
Antonio Tito, Claudia Jimenez-Lopez, Agnieszka Kowalska, StanisÅaw Wysocki,