ChemInform Abstract: The A3π(1) → X1σ(0+) Emission Spectrum of Iodine Monofluoride: Analyses of the Vibrational and Rotational Structure

Abstract

Abstract Iodine monofluoride A 3 Π(1) → X 1 Σ(0 + ) emission has been observed in the reaction of I 2 with F 2 at temperatures ranging from 300 to 800 K. Two previously unreported v ′ progressions are identified, and vibrational molecular constants are reported for the IF 3 Π(1) state using bandheads in progressions based on 0 ≤ v ′ ≤ 15 and 0 ≤ v ″ ≤ 5. The rotational structure has also been recorded and analyzed for nine vibrational bands. The triplet P -, Q -, and R -branch features are resolved for the first time which unambiguously confirms the Ω = 1 assignment of the emitting electronic state. Rotational molecular constants have been determined, and RKR potential energy functions are used to calculate Franck-Condon factors for the IF( A → X ) system.