Calculating analysis of seasonal changes and degradation reactions of pesticides in surface waters feeding Süleymanpaşa district, Tekirdağ

In this study, the possible reaction paths of 2,3,4,5,6 pentachlorotoluene, Benzylbenzoate, Demeton, Dioctylphytalate, İzopropylbenzene, İsodrine, o-Xylen, N,N,N,N tetramethylbenzene and Permetrin molecules with OH radical. Optimized geometries are drawn with Gauss View 5. Later, with the Gaussian 09 program, geometric optimization was made and the lowest energy states were found. Geometric structure analysis was done and bond lengths and bond angles were calculated. The purpose of this study is to determine the most likely way of interaction of 2,3,4,5,6 pentachlorotoluene, Benzylbenzoate, Demeton, Dioctylphytalate, İzopropylbenzene, İsodrine, o-Xylen, N,N,N,N tetramethylbenzene and Permetrin molecules and OH in the gas phase and aqueous medium. The effect of solvent water, COSMO is used as the dissolution model and has a stabilizing effect in reducing the energy in the reactions. The lowest energy molecule has the most stable structure. Apart from these studies, the seasonal changes of the 9 pesticides mentioned in the water samples taken in 4 different seasons from the Naip Dam, which feeds the central neighborhoods of Süleymanpaşa District of Tekirdağ Province, were examined. These results will guide experimental studies and determine the fragmentation mechanism.