Producción CyT
12° Workshop in Computational Chemistry and Molecular Spectroscopy - Theoretical kinetic study of the degradation of 2,6-dichlorobenzamide (BAM) initiated by OH radicals
Congreso
Fecha:
2023Editorial y Lugar de Edición:
Universidad Andrés Bello (UNAB)Resumen *
BAM can be present in the atmosphere and transported to remote places as a degradation product of the pesticide "fluopicolide". So it is essential to know its chemical behavior in order to assess the environmental implications of these pollutants. The degradation of BAM in the atmosphere could be carried out predominantly by reaction with OH radicals.The present study considers the possible reaction paths of this process, including H-atom abstraction and OH-addition reactions. Información suministrada por el agente en SIGEVAPalabras Clave
2,6-dichlorobenzamideab initio and DFT