Product Channels in the Reaction of the Hydroxymethyl Radical with Nitric Oxide

Abstract

The products of the reaction of CH2OH with NO were studied by infrared diode laser spectroscopy. Products were detected to determine the branching ratios of the CH2OH + NO reaction. HNCO was detected in 10.3 ± 2% yields. No other products were detected in significant quantities, indicating that adduct formation is the primary reaction pathway. Ab initio calculations of the potential energy surface show a low energy pathway to HNCO + H2O, but no other bimolecular channels, in agreement with the experiments.

Accessing the Nitromethane (CH3NO2) Potential Energy Surface in Methanol (CH3OH)–Nitrogen Monoxide (NO) Ices Exposed to Ionizing Radiation: An FTIR and PI-ReTOF-MS Investigation

“…Of these two products, methyl nitrite (CH 3 ONO) was clearly detected via FTIR (Section ), and PI-ReTOF-MS (Section ) as the main irradiation product. As for the nitrosomethanol (HOCH 2 NO) isomer, gas-phase experimental and theoretical studies suggested the formation of the transient “HOCH 2 NO adduct” as a result of the reaction of hydroxymethyl (CH 2 OH) radicals with nitrogen monoxide (NO). − A recent infrared diode laser spectroscopy study combined with ab initio calculations was also performed on the reaction hydroxymethyl (CH 2 OH) and nitrogen monoxide (NO) in the gas phase . It has been pointed out that the formed intermediate nitrosomethanol (HOCH 2 NO) adduct may eventually decompose to isocyanic acid (HNCO) and water (H 2 O), although at a rather moderate yield of 10 ± 2%.…”

“…57−59 A recent infrared diode laser spectroscopy study combined with ab initio calculations was also performed on the reaction hydroxymethyl (CH 2 OH) and nitrogen monoxide (NO) in the gas phase. 60 It has been pointed out that the formed intermediate nitrosomethanol (HOCH 2 NO) adduct may eventually decompose to isocyanic acid (HNCO) and water (H 2 O), although at a rather moderate yield of 10 ± 2%. Most importantly, even though the adduct formation pathway was concluded to be the main one, the authors were unable to detect the collisionally stabilized nitrosomethanol (HOCH 2 NO) molecule.…”