Ultrafast photochemistry of methyl hydroperoxide on ice particles

Proceedings of the National Academy of Sciences of the United States of America

Volumn 107, Issue 15, 2010, Pages 6600-6604

  Kamboures, M A ^a   Nizkorodov, S A ^a   Gerber, R B ^a,b  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b HEBREW UNIVERSITY OF JERUSALEM   (Israel)

Author keywords

Air water interface; Molecular dynamics; Peroxides; Photodissociation

Indexed keywords

CARBON MONOXIDE; HYDROGEN PEROXIDE; HYDROPEROXIDE DERIVATIVE; ICE; PEROXIDE; WATER;

AEROSOL; ARTICLE; DISSOCIATION; DYNAMICS; ENERGY; PHOTOCHEMISTRY; PHOTODEGRADATION; PREDICTION; PRIORITY JOURNAL; SIMULATION;

AEROSOLS; CHEMISTRY, ORGANIC; HYDROGEN; HYDROGEN PEROXIDE; ICE; MODELS, MOLECULAR; OXYGEN; PEROXIDES; PHOTOCHEMISTRY; TEMPERATURE; TIME FACTORS; WATER;

EID: 77951086562     PISSN: 00278424     EISSN: 10916490     Source Type: Journal    
DOI: 10.1073/pnas.0907922106     Document Type: Article

References (43)

1. Lee M, Heikes BG, O'Sullivan DW (2000) Hydrogen peroxide and organic hydroperoxide in the troposphere: A review. Atmos Environ 34:3475-3494.
2. Gunz DW, Hoffmann MR (1990) Atmospheric chemistry of peroxides: A review. Atmos Environ A 24:1601-1633.
3. Jackson AV, Hewitt CN (1999) Atmosphere hydrogen peroxide and organic hydroperoxides: A review. Crit Rev Environ Sci Technol 29:175-228.
4. Hasson AS, Paulson SE (2003) An investigation of the relationship between gas-phase and aerosol-borne hydroperoxides in urban air. J Aerosol Sci 34:459-468.
5. Watts JD, Francisco JS (2006) Ground and electronically excited states of methyl hydroperoxide: Comparison with hydrogen peroxide. J Chem Phys 125:104301.
6. Hellpointner E, Gaeb S (1989) Detection of methyl, hydroxymethyl and hydroxyethyl hydroperoxides in air and precipitation. Nature 337:631-634.
7. Hewitt CN, Kok GL (1991) Formation and occurrence of organic hydroperoxides in the troposphere: Laboratory and field observations. J Atm Chem 12:181-194.
8. 3OOH. J Chem Phys 122:221101.
9. Monod A, et al. (2007) Photooxidation of methylhydroperoxide and ethylhydroperoxide in the aqueous phase under simulated cloud droplet conditions. Atmos Environ 41:2412-2426.
10. x) radicals in the tropical upper troposphere. J Geophys Res 106:32709-32716.
11. x reservoir species, hydrogen peroxide, and methyl hydroperoxide, in the northern middle to high latitudes. J Geophys Res 108:TOP 10/11-TOP 10/15.
12. 2 and organic peroxide measurements in an orographic cloud: The FEBUKO experiment. Atmos Environ 39:4279-4290.
13. Hua W, et al. (2008) Atmospheric hydrogen peroxide and organic hydroperoxides during PRIDE-PRD'06, China: Their concentration, formation mechanism and contribution to secondary aerosols. Atmos Chem Phys 8:6755-6773.
14. Friedlander SK, Yeh EK (1998) The submicron atmospheric aerosol as a carrier of reactive chemical species: Case of peroxides. Appl Occup Environ Hygiene 13:416-420.
15. 2 in the upper troposphere suggest a major source from convective injection of peroxides. Geophys Res Lett 24:3181-3184.
16. 2+ in liquid aerosols under tropospheric conditions. Atmos Environ 38:921-933.
17. Claeys M, et al. (2004) Formation of secondary organic aerosols from isoprene and its gas-phase oxidation products through reaction with hydrogen peroxide. Atmos Environ 38:4093-4098.
18. 3OOH. J Photochem Photobiol A 176:107-113.
19. 2OOH determined via action spectroscopy. Atmos Chem Phys 7:713-720.
20. 2S)). J Chem Phys 92:996-1003.
21. 3OOH) at 193 and 248 nm in a cold molecular beam. Chem Phys Lett 213:275-281.
22. 3OOH on the atmospheric concentration of OH radicals. Progr Nat Sci 16:1141-1149.
23. Novicki SW, Vasudev R (1990) Photodissociation of methyl hydroperoxide at 266 nm: Vector correlations and energy distribution in the hydroxyl fragment. J Chem Phys 93:8725-8730.
24. Vione D, et al. (2006) Photochemical reactions in the tropospheric aqueous phase and on particulate matter. Chem Soc Rev 35:441-453.
25. Foresman JB, Head-Gordon M, Pople JA, Frisch MJ (1992) Toward a systematic molecular orbital theory for excited states. J Phys Chem 96:135-149.
26. Andersson S, Kroes G-J, van Dishoeck EF (2005) Photodissociation of water in crystalline ice: A molecular dynamics study. Chem Phys Lett 408:415-421.
27. Woittequand S, et al. (2007) Classical and quantum studies of the photodissociation of a HX (X = Cl, F) molecule adsorbed on ice. J Chem Phys 127:164711-164717.
28. Woittequand S, et al. (2007) Photodissociation of a HCl molecule adsorbed on ice at T = 210 K. Surf Sci 601:3034-3041.
29. Inglese S, Granucci G, Laino T, Persico M (2005) Photodissociation dynamics of chlorine peroxide adsorbed on ice. J Phys Chem B 109:7941-7947.
30. Kosloff R, Zeiri Y (1992) A theoretical study of hydrogen diffraction following photodissociation of adsorbed molecules. J Chem Phys 97:1719-1733.
31. Seideman T (1993) Photodissociation of hydrogen bromide adsorbed on lithium fluoride (001): A quantum mechanical model. J Chem Phys 99:4766-4774.
32. Cwiklik L, Kubisiak P, Kulig W, Jungwirth P (2008) Reactivity of a sodium atom in vibrationally excited water clusters: An ab initio molecular dynamics study. Chem Phys Lett 460:112-115.
33. Gerber RB, Sebek J (2009) Dynamics simulations of atmospherically relevant molecular reactions. Int Rev Phys Chem 28:207-222.
34. Stewart JJP (1989) Optimization of parameters for semiempirical methods. I. Method. J Comput Chem 10:209-220.
35. -. J Phys Chem 99:8462-8471.
36. Vaghjiani GL, Turnipseed AA, Warren RF, Ravishankara AR (1992) Photodissociation of hydrogen peroxide at 193 and 222 nm: Products and quantum yields. J Chem Phys 96:5878-5886.
37. Yu X-Y, Barker JR (2003) Hydrogen peroxide photolysis in acidic aqueous solutions containing chloride ions. II. Quantum yield of HO(aq) radicals. J Phys Chem A 107:1325-1332.
38. Crowell RA, Lian R, Sauer MC, Oulianov DA, Shkrob IA (2004) Geminate recombination of hydroxyl radicals generated in 200-nm photodissociation of aqueous hydrogen peroxide. Chem Phys Lett 383:481-485.
39. Chu L, Anastasio C (2005) Formation of hydroxyl radical from the photolysis of frozen hydrogen peroxide. J Phys Chem A 109:6264-6271.
40. Monod A, Chebbi A, Durand-Jolibois R, Carlier P (2000) Oxidation of methanol by hydroxyl radicals in aqueous solution under simulated cloud droplet conditions. Atmos Environ 34:5283-5294.
41. Curtiss LA, Frurip DJ, Blander M (1979) Studies of molecular association in water and heavy water vapors by measurement of thermal conductivity. J Chem Phys 71:2703-2711.
42. Feyereisen MW, Feller D, Dixon DA (1996) Hydrogen bond energy of the water dimer. J Phys Chem 100:2993-2997.
43. Goldman N, et al. (2002) Spectroscopic determination of the water dimer intermolecular potential-energy surface. J Chem Phys 116:10148-10163.