14691-52-2Relevant articles and documents
Constraining the mechanism of OH + NO2 using isotopically labeled reactants: Experimental evidence for HOONO formation
Donahue, Neil M.,Mohrschladt, Ralf,Dransfield, Timothy J.,Anderson, James G.,Dubey, Manvendra K.
, p. 1515 - 1520 (2001)
The reaction of OH with NO2 is central to atmospheric chemistry, and its dynamics can be constrained by studying the kinetics of isotopically labeled 18OH with NO2. Experimental data on the scrambling rate constant for oxy
Reaction of OH + NO2: High pressure experiments and falloff analysis
Hippler, Horst,Krasteva, Nikolina,Nasterlack, Steffen,Striebel, Frank
, p. 6781 - 6788 (2006)
High pressure experiments on the OH + NO2 reaction are presented for 3 different temperatures. At 300 K, experiments in He (p = 2-500 bar) as well as in Ar (p = 2-4 bar) were performed. The rate constants obtained in Ar agree well with values which have been reported earlier by our group (Forster, R.; Frost, M.; Fulle, D.; Hamann, H. F.; Hippler, H.; Schlepegrell, A.; Troe, J. J. Chem. Phys. 1995, 103, 2949. Fulle, D.; Hamann, H. F.; Hippler, H.; Troe, J. J. Chem. Phys. 1998, 108, 5391). In contrast, the rate coefficients determined in He were found to be 15-25% lower than the values given in our earlier publications. Additionally, results for He as bath gas at elevated temperatures (T = 400 K, p = 3-150 bar; T = 600 K, p = 3-150 bar) are reported. The results obtained at elevated pressures are found to be in good agreement with existing literature data. The observed falloff behavior is analyzed in terms of the Troe formalism taking into account two reaction channels: one yielding HNO 3 and one yielding HOONO. It is found that the extracted parameters are in agreement with rate constants for vibrational relaxation and isotopic scrambling as well as with experimentally determined branching ratios. Based on our analysis we determine falloff parameters to calculate the rate constant for atmospheric conditions.
Product Analysis of the OH + NO2 + M Reaction
Burkholder, James B.,Hammer, Philip D.,Howard, Carleton J.
, p. 2136 - 2144 (1987)
A high-resolution Fourier transform spectrometer optically coupled to a fast flow multipass absorption cell was used to spectroscopically study the products of OH + NO2 + M -> HONO2 + M (1a) and OH + NO2+ M -> HOONO + M (1b).Infrared absorption spectra of the products of reaction 1 were recorded over the range 1850-3850/cm for the following conditions: pressure 3 to 850 Torr, temperature 248 to 298 K, and 0 = (5 to 100)E11 molecules/cm3.The infrared absorption spectrum of HOONO was not observed under these conditions.If the OH stretch band strength of HOONO is equel to that of HONO2 this indicates -10+25percent of reaction 1 forms HONO2.These results are compared with predictions of the branching ratio of reaction 1 obtained from statistical theory.
Cavity Ringdown Spectroscopy of cis-cis HOONO and the HOONO/HONO 2 Branching Ratio in the Reaction OH + NO2 + M
Bean, Brian D.,Mollner, Andrew K.,Nizkorodov, Sergey A.,Nair, Gautham,Okumura, Mitchio,Sander, Stanley P.,Peterson, Kirk A.,Francisco, Joseph S.
, p. 6974 - 6985 (2003)
The termolecular association reaction OH + NO2 + M was studied in a low-pressure discharge flow reactor, and both HONO2 and HOONO products were detected by infrared cavity ringdown spectroscopy (IR-CRDS). The absorption spectrum of the fundamental ν1 band of the cis-cis isomer of HOONO (pernitrous or peroxynitrous acid) was observed at 3306 cm -1, in good agreement with matrix isolation studies and ab initio predictions. The rotational contour of this band was partially resolved at 1 cm-1 resolution and matched the profile predicted by ab initio calculations. The integrated absorbances of the ν1 bands of the cis-cis HOONO and HONO2 products were measured as a function of temperature and pressure. These were converted to product branching ratios by scaling the experimentally observed absorbances with ab initio integrated cross sections for HOONO and HONO2 computed at the CCSD(T)/cc-p VTZ level. The product branching ratio for cis-cis HOONO to HONO2 was 0.075 ± 0.020(2σ) at room temperature in a 20 Torr mixture of He/Ar/N2 buffer gas. The largest contribution to the uncertainty is from the ab initio ratio of the absorption cross sections, computed in the double harmonic approximation, which is estimated to be accurate to within 20%. The branching ratio decreased slightly with temperature over the range 270 to 360 K at 20 Torr. Although trans-perp HOONO was not observed, its energy was computed at the CCSD(T)/cc-pVTZ level to be E0 = +3.4 kcal/mol relative to the cis-cis isomer. Statistical rate calculations showed that the conformers of HOONO should reach equilibrium on the time scale of this exeriment. These results suggested that essentially all isomers had converted to cis-cis HOONO; thus, the reported branching ratio is a lower bound for and may represent the entire HOONO yield.
Cold atmospheric plasma activated water as a prospective disinfectant: The crucial role of peroxynitrite
Zhou, Renwu,Zhou, Rusen,Prasad, Karthika,Fang, Zhi,Speight, Robert,Bazaka, Kateryna,Ostrikov, Kostya
supporting information, p. 5276 - 5284 (2018/12/05)
The socio-economic, environmental, and health implications of diseases caused by pathogenic microorganisms and their treatment using conventional antimicrobials are significant. The increasing resistance to antibiotics and detrimental biological side effects of many common antibiotics on human health and on the ecosystem have driven the search for new cost-effective and highly-efficient sterilization treatments and agents that are more environmentally benign. Plasma activated water (PAW), a product of cold atmospheric plasma reacting with water, is a promising broad-spectrum biocidal agent whose biochemical activity is attributed to the presence of a rich diversity of highly reactive oxygen and nitrogen species (RONS). The transient activity of PAW, where PAW reverts to water within days of storage and application, suggests that it can become a green alternative to conventional chemical treatment methods, yet the issues of scale up and the not fully understood mechanism of activity remain. In this study, we sought to explore the antibiotic potential of PAW generated from a plasma jet in a continuous flow reactor and determine the individual and combined contribution of thus-generated reactive chemistries in PAW for organism inactivation. Treatment of Escherichia coli with PAW led to more than a 4-log reduction, while exposure to an equivalent single dose of hydrogen peroxide (H2O2), nitrate (NO3-) or nitrite (NO2-) to that found in PAW failed to attain the same level of reduction. Peroxynitrite was identified as a critical bioactive species, particularly under acidic conditions, originating from the synergistic plasma effects (like the reactions of H2O2, NO3-, NO2- and other existing short-lived species like OH radicals in PAW). This research successfully demonstrated the possibility of PAW being an effective environmentally benign disinfectant, the activity of which is closely linked to the generation of peroxynitrite, providing much needed insights into the fundamental aspects of PAW chemistry required for optimisation of the biochemical activity of PAW and translation of this decontamination strategy into real life applications.
Observation of gas-phase peroxynitrous and peroxynitric acid during the photolysis of nitrate in acidified frozen solutions
Abida, Otman,Mielke, Levi H.,Osthoff, Hans D.
, p. 187 - 192 (2011/10/05)
The photolysis of nitrate embedded in ice and snow can be a significant source of volatile nitrogen oxides affecting the composition of the planetary boundary layer. In this work, we examined the nitrogen oxides evolved from irradiated frozen solutions containing nitrate. Products were monitored by cavity ring-down spectroscopy (CRDS), NO-O3 chemiluminescence (CL), and chemical ionization mass spectrometry (CIMS). Under acidic conditions, the nitrogen oxides volatilized were mainly in the form of NOz, i.e., nitrous (HONO), nitric (HONO2), peroxynitrous (HOONO), and peroxynitric acid (HO2NO2). Identification of acidic nitrogen oxides by CIMS and possible HOONO, HONO2 and HO 2NO2 formation pathways are discussed.
Photolysis of nitric acid in solid nitrogen
Chen, Whei-Jen,Lo, Wen-Jui,Cheng, Bing-Ming,Lee, Yuan-Pern
, p. 7167 - 7173 (2007/10/02)
The large shifts (-30.5 and +41.7 cm-1, respectively) of the IR absorption lines of nitric acid (HONO2) in a N2 matrix in the ν1 (OH stretching) and ν3 (HON bending) vibrational modes, relative to those observed for HONO2 in an Ar matrix, indicate a strong interaction between HONO2 and N2.Photolysis of HONO2 in solid Ar produced predominantly HOONO, whereas relatively intense lines of N2O and HONO were observed after photolysis of HONO2 in solid N2 with a mercury lamp, with the relative yield of HOONO decreased by more than a factor of 10.Possible photochemical processes are discussed.
