Experimental and Theoretical Study of Unsaturated\nAlcohol Reaction with Cl Atoms: Kinetics, Products, and Mechanisms

The\nrelative rate method was used to determine the rate constant\nof Cl atoms and 3-buten-1-ol at ambient temperature and pressure.\nThe main products of the reaction were identified as HCOOH with a\nyield of (50.07 ± 2.65)%, HCHO with a yield of (18.24 ±\n0.65)%, HOCH<sub>2</sub>CHO with a yield of (18.69 ± 0.68)%,\nClCH<sub>2</sub>CHO with a yield of (7.64 ± 0.25)%, respectively.\nThe rate constant was (3.04 ± 0.36) × 10<sup>–10</sup> cm<sup>3</sup> molecules<sup>–1</sup> s<sup>–1</sup><sub>.</sub> The calculated theoretical rate constant was 2.91 ×\n10<sup>–10</sup> cm<sup>3</sup> molecules<sup>–1</sup> s<sup>–1</sup>, which was in agreement with the experimental\nresults. Moreover, the theoretical calculation showed that the two\nCl-addition pathways were the main reaction pathway, but the proportion\nof H-abstraction pathways reached 29%, and its importance cannot be\nignored. Based on this, the possible reaction mechanisms were deduced.\nThe atmospheric implications of the obtained title reaction were briefly\ndiscussed.