Ab initio/density functional theory and multichannel RRKM study for the ClO+C[H.sub.2]O reaction

High-level ab initio molecular orbital methods were used to investigate the reaction between C[H.sub.2]O and ClO and to map out the complete potential energy surface (PSE) for the system. The calculated results demonstrated that the formation of HOCl+HCO was the dominant reaction channel and was exothermic suggesting that the decomposition in both the forward and backward directions for HOCl would be difficult in the ground electronic state.