Resumen:
n this work, we investigate the degradation process of 1-chlorobutane, initiated by OH radicals, under atmospheric conditions (airpressure of 750 Torr and 296 K) from both experimental and theoreticalapproaches. In the first one, a relative kinetic method was used to obtainthe rate coefficient for this reaction, while the products were identified forthe first time (1-chloro-2-butanone, 1-chloro-2-butanol, 4-chloro-2-butanone, 3-hydroxy-butanaldehyde, and 3-chloro-2-butanol) using massspectrometry, allowing suggesting a reaction mechanism. The theoreticalcalculations, for the reactive process, were computed using theBHandHLYP/6-311++G(d,p) level of theory, and the energies for all ofthe stationary points were refined at the CCSD(T) level. Five conformersfor 1-chlorobutane and 33 reactive channels with OH radicals were found,which were considered to calculate the thermal rate coefficient (as the sumof the site-specific rate coefficients using canonical transition state theory). The theo