Measuring the rate constant of the reaction between carbon monoxide and iodine oxide at 298–363 K by the resonance fluorescence method

A Density Functional Theory and ab Initio Investigation of the Oxidation Reaction of CO by IO Radicals

“…The k(298 K) calculated value for the rate constant is 7 orders of magnitude below the measured value determined by Larin et al 46 (1.8 × 10 −21 cm 3 molecule −1 s −1 vs 8.9 × 10 −14 cm 3 molecule −1 s −1 ). If we look at the temperature dependence of the rate constant, it can be noticed that Larin et al 46 predict a negative activation energy (−5.09 kJ mol −1 ). Our computations show that the activation energy for the reaction of IO with CO is 47.4 kJ mol −1 .…”

“…With regard to the IO + CO reaction, only one experimental kinetic study can be found in the literature. Recently, Larin et al employed the resonance fluorescence method to estimate the rate expression (in cm 3 molecule –1 s –1 ) as follows: At 298 K, the rate constant was equal to 8.9 × 10 –14 cm 3 molecule –1 s –1 . According to the authors, the IO + CO reaction possibly plays a significant role in the marine atmosphere.…”

Theoretical treatment of IO–X (X = N2, CO, CO2, H2O) complexes

“…Both modelling 25 and experimental 26,27 studies are performed to elucidate, for instance, the role of IO in the tropospheric oxidation of iodine-containing species. These works allowed us to determine the structural, energetic and thermodynamic properties of the reactive and/or non-reactive collisions between IO and the following compounds: Ar, 28 ClO, 29 BrO, 29 CF 3 O, 30 NH 2 , 31 CO, 32,33 H 2 O, 34 IO, 34 OIO, 34 HNO 3 , 35 NO, 36 O 3 , 37 NO 3 , 38 and HO 2 . 39 In particular, they showed that the first steps of such possesses correspond to the formation of weakly bound complexes between IO and these molecules.…”