Nitroso Formaldehyde

Napier, I. M.; Norrish, R. G. W.

doi:10.1038/2081090a0

Cited by 8 publications

(2 citation statements)

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“…Nothing is known about the atmospheric chemistry of nitroso formaldehyde, H(O)CNO, except that it absorbs in the UV−C region. 52 We note that a TDDFT calculation places a weak n → π* transition in the conjugated system around 1200 nm (f = 0.0002) suggesting a relatively short tropospheric lifetime.…”

Section: Resultsmentioning

confidence: 76%

“…The HCN + OH reaction was recently studied by Bunkan et al, who derived a theoretical rate coefficient for the HCN + OH reaction based on the mechanism originally proposed by Wine et al and later confirmed by Galano The abstraction reaction (HCN + OH → ĊN + H 2 O) is endothermic by around 40 kJ mol –1 and will not be important at atmospheric conditions. Nothing is known about the atmospheric chemistry of nitroso formaldehyde, H(O)CNO, except that it absorbs in the UV–C region . We note that a TDDFT calculation places a weak n → π* transition in the conjugated system around 1200 nm ( f = 0.0002) suggesting a relatively short tropospheric lifetime.…”

Section: Resultsmentioning

confidence: 83%

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Atmospheric Gas Phase Chemistry of CH₂═NH and HNC. A First-Principles Approach

et al. 2014

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Quantum chemical methods were used to investigate the OH initiated atmospheric degradation of methanimine, CH2═NH, the major primary product in the atmospheric photo-oxidation of methylamine, CH3NH2. Energies of stationary points on potential energy surfaces of reaction were calculated using multireference perturbation theory and coupled cluster theory. The results show that hydrogen abstraction dominates over the addition route in the CH2═NH + OH reaction, and that the major primary product is HCN, while HNC and CHONH2 are minor primary products. HNC is found to react with OH exclusively via addition to the carbon atom followed by O-H scission leading to HNCO; N2O is not a product in the atmospheric photo-oxidation of HNC. Additional G4 calculations of the CH2═NH + O3 reaction show that this is too slow to be of importance at atmospheric conditions. Rate coefficients for the CH2═NH + OH and HNC + OH reactions were calculated as a function of temperature and pressure using a master equation model based on the coupled cluster theory results. The rate coefficients for OH reaction with CH2═NH and HNC at 1000 mbar and room temperature are calculated to be 3.0 × 10(-12) and 1.3 × 10(-11) cm(3) molecule(-1) s(-1), respectively. The atmospheric fate of CH2═NH is discussed and a gas phase photo-oxidation mechanism is presented.

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Section: Resultsmentioning

confidence: 76%

Section: Resultsmentioning

confidence: 83%

Atmospheric Gas Phase Chemistry of CH₂═NH and HNC. A First-Principles Approach

et al. 2014

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Molecular‐modulation spectrometry: CH₃ONO photolysis and detection of nitroxyl

McGraw

Johnston

1969

Int J of Chemical Kinetics

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The method of molecular-modulation spectrometry for studying photochemical reactions has been applied to methyl nitrite photolysis. The infrared absorption of the nitroxyl radical HNO has been observed in the gas phase at 3300 cm-l. Under the present experimental conditions the steady-state concentration of H N O under steady illumination was 1.1 x lo', particles/cc, and the observed modulation amplitude was 4.5 x lOlo particles/cc. At 25°C and 1 atm of nitrogen, the cross section for infrared absorption by H N O a t 3300 cm-l is I .7 x cm2. The rate constant ratio b/c (CH,ONO t CH,O + NO % &CO + HNO) was found to be 8.0. From the literature value of the rate constant d (HNO + HNO --f H,O + N,O), the observed rate constant for the reaction (CH,O f H N O % CH,OH + NO) is e = (5 f 1) x 6 d cc/particle sec.

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Atmospheric photodissociation lifetimes for nitromethane, methyl nitrite, and methyl nitrate

Taylor

Allston

Moscato

et al. 1980

Int J of Chemical Kinetics

386

259

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Atmospheric photodissociation rate coefficients and photodissociation lifetimes for nitromethane, methyl nitrite, and methyl nitrate were calculated as a function of altitude from their measured visible and near ultraviolet photoabsorption cross sections at 298 K. The lifetime of methyl nitrite is nearly independent of altitude and is approximately 2 min. From 0 to 50 km the lifetime of nitromethane varies from 10 to 0.5 hr, while that of methyl nitrate changes from 5.3 to 0.09 days, respectively.

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Nitroso Formaldehyde

Cited by 8 publications

References 8 publications

Atmospheric Gas Phase Chemistry of CH₂═NH and HNC. A First-Principles Approach

Atmospheric Gas Phase Chemistry of CH₂═NH and HNC. A First-Principles Approach

Molecular‐modulation spectrometry: CH₃ONO photolysis and detection of nitroxyl

Atmospheric photodissociation lifetimes for nitromethane, methyl nitrite, and methyl nitrate

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Nitroso Formaldehyde

Cited by 8 publications

References 8 publications

Atmospheric Gas Phase Chemistry of CH2═NH and HNC. A First-Principles Approach

Atmospheric Gas Phase Chemistry of CH2═NH and HNC. A First-Principles Approach

Molecular‐modulation spectrometry: CH3ONO photolysis and detection of nitroxyl

Atmospheric photodissociation lifetimes for nitromethane, methyl nitrite, and methyl nitrate

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Product

Resources

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Atmospheric Gas Phase Chemistry of CH₂═NH and HNC. A First-Principles Approach

Atmospheric Gas Phase Chemistry of CH₂═NH and HNC. A First-Principles Approach

Molecular‐modulation spectrometry: CH₃ONO photolysis and detection of nitroxyl