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Volumn 45, Issue 34, 2011, Pages 6197-6203

Chemical mechanism and kinetics study on the ocimene ozonolysis reaction in atmosphere

Author keywords

Atmospheric lifetime; Chemical mechanism and kinetics study; Ozonolysis reaction of ocimene; Rate constant; SOA formation mechanism

Indexed keywords

ARRHENIUS FORMULA; ATMOSPHERIC LIFETIME; BASIS SETS; CANONICAL VARIATIONAL TRANSITION-STATE THEORIES; CHEMICAL MECHANISM; CHEMICAL MECHANISM AND KINETICS STUDY; FORMATION MECHANISM; GEOMETRY PARAMETER; MODEL SIMULATION; MOLECULAR ORBITAL THEORY; OZONOLYSIS; QUANTUM CHEMICAL; REACTION MECHANISM; REACTION SPECIES; RICE-RAMSPERGER-KASSEL-MARCUS; SECONDARY ORGANIC AEROSOLS; SINGLE-POINT ENERGY; SMALL-CURVATURE TUNNELING; STATIONARY POINTS; TEMPERATURE RANGE;

EID: 80052631215     PISSN: 13522310     EISSN: 18732844     Source Type: Journal    
DOI: 10.1016/j.atmosenv.2011.08.010     Document Type: Article
Times cited : (12)

References (33)
  • 1
    • 0032440191 scopus 로고    scopus 로고
    • Kinetics of the gas-phase reactions of OH and NO3 radicals and O3 with the monoterpene reaction products pinonaldehyde, caronaldehyde, and sabinaketone
    • Alvarado A., Arey J., Atkinson R. Kinetics of the gas-phase reactions of OH and NO3 radicals and O3 with the monoterpene reaction products pinonaldehyde, caronaldehyde, and sabinaketone. J. Atmos. Chem. 1998, 31:281-297.
    • (1998) J. Atmos. Chem. , vol.31 , pp. 281-297
    • Alvarado, A.1    Arey, J.2    Atkinson, R.3
  • 2
    • 0035884303 scopus 로고    scopus 로고
    • Atmospheric lifetimes and fates of selected fragrance materials and volatile model compounds
    • Aschmann S.M., Arey J., Atkinson R., Staci L. Atmospheric lifetimes and fates of selected fragrance materials and volatile model compounds. Environ. Sci. Technol. 2001, 35:3595-3600.
    • (2001) Environ. Sci. Technol. , vol.35 , pp. 3595-3600
    • Aschmann, S.M.1    Arey, J.2    Atkinson, R.3    Staci, L.4
  • 3
    • 0036742012 scopus 로고    scopus 로고
    • OH radical formation from the gas-phase reactions of O3 with a series of terpenes
    • Aschmann S.M., Arey J., Atkinson R. OH radical formation from the gas-phase reactions of O3 with a series of terpenes. Atmos. Environ. 2002, 36:4347-4355.
    • (2002) Atmos. Environ. , vol.36 , pp. 4347-4355
    • Aschmann, S.M.1    Arey, J.2    Atkinson, R.3
  • 4
    • 0042471616 scopus 로고    scopus 로고
    • Gas-phase tropospheric chemistry of biogenic volatile organic compounds: a review
    • Atkinson R., Arey J. Gas-phase tropospheric chemistry of biogenic volatile organic compounds: a review. Atoms. Environ. 2003, 37:197-219.
    • (2003) Atoms. Environ. , vol.37 , pp. 197-219
    • Atkinson, R.1    Arey, J.2
  • 5
    • 0022017587 scopus 로고
    • Kinetics and atmospheric implications of the gas-phase reactions of NO3 radicals with a series of monoterpenes and related organics at 294 K
    • Atkinson R., Aschmann S.M., Winer A.M., Pitts J.N. Kinetics and atmospheric implications of the gas-phase reactions of NO3 radicals with a series of monoterpenes and related organics at 294 K. Environ. Sci. Technol. 1985, 19:159-163.
    • (1985) Environ. Sci. Technol. , vol.19 , pp. 159-163
    • Atkinson, R.1    Aschmann, S.M.2    Winer, A.M.3    Pitts, J.N.4
  • 6
    • 5544315285 scopus 로고    scopus 로고
    • Kinetics of the gas-phase reactions of OH radicals, NO3 radicals and O3 with three C7-carbonyls formed from the atmospheric reactions of myrcene, ocimene and terpinolene
    • Baker J., Arey J., Atkinson R. Kinetics of the gas-phase reactions of OH radicals, NO3 radicals and O3 with three C7-carbonyls formed from the atmospheric reactions of myrcene, ocimene and terpinolene. J. Atmos. Chem. 2004, 48:241-260.
    • (2004) J. Atmos. Chem. , vol.48 , pp. 241-260
    • Baker, J.1    Arey, J.2    Atkinson, R.3
  • 7
    • 0037187962 scopus 로고    scopus 로고
    • Influence of water vapor on the process of new particle formation during monoterpene ozonolysis
    • Bonn B., Schuster G., Moortgat G.K. Influence of water vapor on the process of new particle formation during monoterpene ozonolysis. J. Phys. Chem. A 2002, 106:2869-2881.
    • (2002) J. Phys. Chem. A , vol.106 , pp. 2869-2881
    • Bonn, B.1    Schuster, G.2    Moortgat, G.K.3
  • 9
    • 79955546990 scopus 로고    scopus 로고
    • Pressure dependence of stabilized Criegee intermediate formation from a sequence of alkenes
    • Drozd G.T., Donahue N.M. Pressure dependence of stabilized Criegee intermediate formation from a sequence of alkenes. J. Phys. Chem. A 2011, 115:4381-4387.
    • (2011) J. Phys. Chem. A , vol.115 , pp. 4381-4387
    • Drozd, G.T.1    Donahue, N.M.2
  • 11
    • 0033392007 scopus 로고    scopus 로고
    • Estimate of global atmospheric organic aerosol from oxidation of biogenic hydrocarbons
    • Griffin R.J., Cocker D.R., Seinfeid J.H. Estimate of global atmospheric organic aerosol from oxidation of biogenic hydrocarbons. Geophys. Res. Lett. 1999, 26(17):2721-2724.
    • (1999) Geophys. Res. Lett. , vol.26 , Issue.17 , pp. 2721-2724
    • Griffin, R.J.1    Cocker, D.R.2    Seinfeid, J.H.3
  • 12
    • 0030619735 scopus 로고    scopus 로고
    • Formation of organic aerosols from the oxidation of biogenic hydrocarbons
    • Hoffmann T., Odum J.R. Formation of organic aerosols from the oxidation of biogenic hydrocarbons. J. Atmos. Chem. 1997, 26:189-222.
    • (1997) J. Atmos. Chem. , vol.26 , pp. 189-222
    • Hoffmann, T.1    Odum, J.R.2
  • 13
    • 34547690917 scopus 로고    scopus 로고
    • Ab initio study of the reaction of propionyl (C2H5CO) radical with oxygen (O2)
    • Hou H., Wang B.S. Ab initio study of the reaction of propionyl (C2H5CO) radical with oxygen (O2). J. Chem. Phys. 2007, 127:054306.
    • (2007) J. Chem. Phys. , vol.127 , pp. 054306
    • Hou, H.1    Wang, B.S.2
  • 16
    • 33745914672 scopus 로고    scopus 로고
    • Emissions of monoterpenes linalool and ocimene respond differently to environmental changes due to differences in physico-chemical characteristics
    • Noe S.M., Ciccioli P., Brancaleoni E., Loreto F., Niinemets Ü Emissions of monoterpenes linalool and ocimene respond differently to environmental changes due to differences in physico-chemical characteristics. Atoms. Environ. 2006, 40:4649-4662.
    • (2006) Atoms. Environ. , vol.40 , pp. 4649-4662
    • Noe, S.M.1    Ciccioli, P.2    Brancaleoni, E.3    Loreto, F.4    Niinemets Ü5
  • 17
    • 33748421493 scopus 로고    scopus 로고
    • Mechanism for OH-initiated photooxidation of naphthalene in the presence of O2 and NOx: a DFT study
    • Qu X., Zhang Q., Wang W. Mechanism for OH-initiated photooxidation of naphthalene in the presence of O2 and NOx: a DFT study. Chem. Phys. Lett. 2006, 429(1-3):77-85.
    • (2006) Chem. Phys. Lett. , vol.429 , Issue.1-3 , pp. 77-85
    • Qu, X.1    Zhang, Q.2    Wang, W.3
  • 18
    • 66249112840 scopus 로고    scopus 로고
    • Mechanistic and kinetic studies on the homogeneous gas-phase formation of PCDD/Fs from 2,4,5-trichlorophenol
    • Qu X., Wang H., Zhang Q., Shi X., Xu F., Wang W. Mechanistic and kinetic studies on the homogeneous gas-phase formation of PCDD/Fs from 2,4,5-trichlorophenol. Environ. Sci. Technol. 2009, 43(11):4068-4075.
    • (2009) Environ. Sci. Technol. , vol.43 , Issue.11 , pp. 4068-4075
    • Qu, X.1    Wang, H.2    Zhang, Q.3    Shi, X.4    Xu, F.5    Wang, W.6
  • 19
    • 1942499498 scopus 로고    scopus 로고
    • Products of the OH radical- and O3-initiated reactions of myrcene and ocimene
    • Reissell A., Aschmann S.M., Atkinson R., Arey J. Products of the OH radical- and O3-initiated reactions of myrcene and ocimene. J. Geophys. Res. 2002, 107:4138-4143.
    • (2002) J. Geophys. Res. , vol.107 , pp. 4138-4143
    • Reissell, A.1    Aschmann, S.M.2    Atkinson, R.3    Arey, J.4
  • 20
    • 14044262820 scopus 로고    scopus 로고
    • Biogenic emissions from Pinus halepensis: a typical species of the Mediterranean area
    • Simon V., Dumergues L., Solignac G., Torres L. Biogenic emissions from Pinus halepensis: a typical species of the Mediterranean area. Atmos. Res. 2005, 74:37-48.
    • (2005) Atmos. Res. , vol.74 , pp. 37-48
    • Simon, V.1    Dumergues, L.2    Solignac, G.3    Torres, L.4
  • 21
    • 79951725186 scopus 로고    scopus 로고
    • The chemical mechanism of the limonene ozonolysis reaction in the SOA formation: a quantum chemistry and direct dynamic study
    • Sun T.L., Wang Y.D., Zhang C.X., Sun X.M., Wang W.X. The chemical mechanism of the limonene ozonolysis reaction in the SOA formation: a quantum chemistry and direct dynamic study. Atoms. Environ. 2011, 45:1725-1731.
    • (2011) Atoms. Environ. , vol.45 , pp. 1725-1731
    • Sun, T.L.1    Wang, Y.D.2    Zhang, C.X.3    Sun, X.M.4    Wang, W.X.5
  • 23
    • 28044435645 scopus 로고    scopus 로고
    • Theoretical investigation of the reaction of O(3P) with CH2Cl
    • Wang B.S., Gu Y.S., Kong F.N. Theoretical investigation of the reaction of O(3P) with CH2Cl. J. Phys. Chem. A 1999, 103:2060-2065.
    • (1999) J. Phys. Chem. A , vol.103 , pp. 2060-2065
    • Wang, B.S.1    Gu, Y.S.2    Kong, F.N.3
  • 25
    • 34250896318 scopus 로고    scopus 로고
    • Reaction-path dynamics and theoretical rate constants for the reaction CH4 + O3 → HOOO + CH3
    • Yang J., Li Q.S., Zhang S.W. Reaction-path dynamics and theoretical rate constants for the reaction CH4 + O3 → HOOO + CH3. Int. J. Quantum Chem. 2007, 107:1999-2005.
    • (2007) Int. J. Quantum Chem. , vol.107 , pp. 1999-2005
    • Yang, J.1    Li, Q.S.2    Zhang, S.W.3
  • 26
    • 37649005000 scopus 로고    scopus 로고
    • Direct dynamics study on the reaction of acetaldehyde with ozone
    • Yang J., Li Q.S., Zhang S.W. Direct dynamics study on the reaction of acetaldehyde with ozone. J. Comput. Chem. 2008, 29:247-255.
    • (2008) J. Comput. Chem. , vol.29 , pp. 247-255
    • Yang, J.1    Li, Q.S.2    Zhang, S.W.3
  • 27
    • 29144476431 scopus 로고    scopus 로고
    • Oxidation mechanism of aromatic peroxy and bicyclic radicals from OH-toluene reactions
    • Zhang D., Zhang R. Oxidation mechanism of aromatic peroxy and bicyclic radicals from OH-toluene reactions. J. Chem. Phys. 2005, 122:114308.
    • (2005) J. Chem. Phys. , vol.122 , pp. 114308
    • Zhang, D.1    Zhang, R.2
  • 28
    • 18644384941 scopus 로고    scopus 로고
    • An effective scheme for selecting basis sets for ab initio calculations
    • Zhang R., Bu Y., Li S., Huang J., Han K., He G. An effective scheme for selecting basis sets for ab initio calculations. Sci. China (Ser. B) 2000, 30:419-427.
    • (2000) Sci. China (Ser. B) , vol.30 , pp. 419-427
    • Zhang, R.1    Bu, Y.2    Li, S.3    Huang, J.4    Han, K.5    He, G.6
  • 29
    • 54749152860 scopus 로고    scopus 로고
    • A quantum mechanical study on the formation of PCDD/Fs from 2-chlorophenol as precursor
    • Zhang Q., Li S., Qu X., Wang W. A quantum mechanical study on the formation of PCDD/Fs from 2-chlorophenol as precursor. Environ. Sci. Technol. 2008, 42:7301-7308.
    • (2008) Environ. Sci. Technol. , vol.42 , pp. 7301-7308
    • Zhang, Q.1    Li, S.2    Qu, X.3    Wang, W.4
  • 30
    • 66249096008 scopus 로고    scopus 로고
    • Mechanism and thermal rate constants for the complete series reactions of chlorophenols with H
    • Zhang Q., Qu X., Xu F., Shi X., Wang W. Mechanism and thermal rate constants for the complete series reactions of chlorophenols with H. Environ. Sci. Technol. 2009, 43:4105-4112.
    • (2009) Environ. Sci. Technol. , vol.43 , pp. 4105-4112
    • Zhang, Q.1    Qu, X.2    Xu, F.3    Shi, X.4    Wang, W.5
  • 31
    • 4344577294 scopus 로고    scopus 로고
    • Hybrid meta density functional theory methods for thermochemistry, thermochemical kinetics, and noncovalent interactions: the MPW1B95 and MPWB1K models and comparative assessments for hydrogen bonding and van der Waals interactions
    • Zhao Y., Truhlar D.G. Hybrid meta density functional theory methods for thermochemistry, thermochemical kinetics, and noncovalent interactions: the MPW1B95 and MPWB1K models and comparative assessments for hydrogen bonding and van der Waals interactions. J. Phys. Chem. A 2004, 108:6908-6918.
    • (2004) J. Phys. Chem. A , vol.108 , pp. 6908-6918
    • Zhao, Y.1    Truhlar, D.G.2
  • 32
    • 1542317844 scopus 로고    scopus 로고
    • Quantification of hydroxycarbonyls from OH-isoprene reactions
    • Zhao J., Zhang R., Fortner E.C., North S.W. Quantification of hydroxycarbonyls from OH-isoprene reactions. J. Am. Chem. Soc. 2004, 126:2686-2687.
    • (2004) J. Am. Chem. Soc. , vol.126 , pp. 2686-2687
    • Zhao, J.1    Zhang, R.2    Fortner, E.C.3    North, S.W.4
  • 33
    • 77949300600 scopus 로고    scopus 로고
    • Theoretical study on mechanism for O3-initiated atmospheric oxidation reaction of b-caryophyllene
    • Zhao Y., Zhang R., Sun X., He M., Wang H., Zhang Q., Ru M. Theoretical study on mechanism for O3-initiated atmospheric oxidation reaction of b-caryophyllene. J. Mol. Struct. (Theochem) 2010, 947:68-75.
    • (2010) J. Mol. Struct. (Theochem) , vol.947 , pp. 68-75
    • Zhao, Y.1    Zhang, R.2    Sun, X.3    He, M.4    Wang, H.5    Zhang, Q.6    Ru, M.7


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