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The singlet and triplet potential energy surfaces involved in the gas phase reactive collisions of O( 3 P) and C 2 H 5 I have been studied with ab initio electronic structure computations. The collisions produce both spin-forbidden HOIϩC 2 H 4 and spin-allowed OIϩC 2 H 5 products. The calculations indicate that HOI is formed via a triplet complex and through a triplet/singlet intersystem crossing, followed by passage through a singlet intermediate and transition state for the intramoleculardoi:10.1063/1.475525 fatcat:zm42xtxwnjdazkma6paaspqaha