Özet:

The purpose of this study is: the thermodynamic properties of timol, an important factor with the oleuropein that makes it painful in the leaves of the olive, in its unmatched fruits, is the calculation of the parameters of chemical activity (ΔG, HOMO, LUMO, ∆(HOMO-LUMO), dipol moment). In addition, the comparison of these values is to identify whether they are reactive to radical structures and to guide the experimental studies to be conducted on this. RHF method is used as a calculation method. The chemical activity has been evaluated by using these methods and the full optimized geometric structures of compounds. It is used by the Gaussian09W package program in calculations. The reason we choose this method is that it is a very important and preferable method to consider the characteristics of our molecules in a short time, and, on the other hand, to prevent waste of matter and time. Another important factor compared to timol, an antioxidant; in Oleurope, it is found that it is unstable due to phenolic structures, radical structures. As a result, in light of the data obtained from the calculations of Oleuropein with RHF, it can be said that it is unstable due to the phenolic structures, tending to react and that harmful microorganisms in metabolism will be antimicrobial effective by disturbing the cell structure.

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