메뉴 건너뛰기




Volumn 42, Issue 33, 2008, Pages 7611-7622

Structure-activity relationship for the estimation of OH-oxidation rate constants of aliphatic organic compounds in the aqueous phase: alkanes, alcohols, organic acids and bases

Author keywords

Aqueous phase reactivity; Organic compounds; Polyfunctional organic compounds; Rate constants; Structure reactivity relationship

Indexed keywords

ATMOSPHERIC CHEMISTRY; ATMOSPHERIC STRUCTURE; CHEMICAL OXYGEN DEMAND; FREE RADICALS; HYDROCARBONS; ORGANIC ACIDS; ORGANIC COMPOUNDS; OXIDATION; PARAFFINS; PARAMETER ESTIMATION; PHASE INTERFACES; SYNTHETIC APERTURES; TARGET DRONES;

EID: 53949090341     PISSN: 13522310     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.atmosenv.2008.06.005     Document Type: Article
Times cited : (84)

References (73)
  • 1
    • 25844455779 scopus 로고
    • Reactions of the hydroxyl radical. II. Determination of absolute rate constants
    • Adams G.E., Boag J.W., and Michael B.D. Reactions of the hydroxyl radical. II. Determination of absolute rate constants. Transactions of the Faraday Society 61 (1965) 1417-1424
    • (1965) Transactions of the Faraday Society , vol.61 , pp. 1417-1424
    • Adams, G.E.1    Boag, J.W.2    Michael, B.D.3
  • 2
    • 0038433328 scopus 로고    scopus 로고
    • OH reactions with aliphatic alcohols: evaluation of kinetics by direct optical absorption measurement. A pulse radiolysis study
    • Alam M.S., Rao B.S.M., and Janata E. OH reactions with aliphatic alcohols: evaluation of kinetics by direct optical absorption measurement. A pulse radiolysis study. Radiation Physics and Chemistry 67 (2003) 723-728
    • (2003) Radiation Physics and Chemistry , vol.67 , pp. 723-728
    • Alam, M.S.1    Rao, B.S.M.2    Janata, E.3
  • 5
    • 0000450518 scopus 로고
    • Pulse radiolytic of site of OH radical attack on aliphatic alcohols in aqueous solution
    • Asmus K.-D., Möckel H., and Henglein A. Pulse radiolytic of site of OH radical attack on aliphatic alcohols in aqueous solution. Journal of Physical Chemistry 77 (1973) 1218-1221
    • (1973) Journal of Physical Chemistry , vol.77 , pp. 1218-1221
    • Asmus, K.-D.1    Möckel, H.2    Henglein, A.3
  • 6
    • 84985421312 scopus 로고
    • A structure-activity relationship for the estimation of rate constants for the gas-phase reactions of OH radicals with organic compounds
    • Atkinson R. A structure-activity relationship for the estimation of rate constants for the gas-phase reactions of OH radicals with organic compounds. International Journal of Chemical Kinetics 19 (1987) 799-828
    • (1987) International Journal of Chemical Kinetics , vol.19 , pp. 799-828
    • Atkinson, R.1
  • 7
    • 0033951295 scopus 로고    scopus 로고
    • Secondary organic aerosol formation in cloud and fog droplets: a literature evaluation of plausibility
    • Blando J.D., and Turpin B.J. Secondary organic aerosol formation in cloud and fog droplets: a literature evaluation of plausibility. Atmospheric Environment 34 (2000) 1623-1632
    • (2000) Atmospheric Environment , vol.34 , pp. 1623-1632
    • Blando, J.D.1    Turpin, B.J.2
  • 13
    • 34447293827 scopus 로고    scopus 로고
    • Atmospheric oxalic acid and SOA production from glyoxal: results of aqueous photooxidation experiments
    • 10.1016/j.atmosenv.2007.05.035
    • Carlton A.G., Turpin B.J., Altieri K.E., Seitzinger S., Reff A., Lim H.J., and Ervens B. Atmospheric oxalic acid and SOA production from glyoxal: results of aqueous photooxidation experiments. Atmospheric Environment 41 35 (2007) 7588-7602 10.1016/j.atmosenv.2007.05.035
    • (2007) Atmospheric Environment , vol.41 , Issue.35 , pp. 7588-7602
    • Carlton, A.G.1    Turpin, B.J.2    Altieri, K.E.3    Seitzinger, S.4    Reff, A.5    Lim, H.J.6    Ervens, B.7
  • 15
    • 53949096342 scopus 로고    scopus 로고
    • Chin, M., Wine, P.H., 1994. A temperature dependent competitive kinetics study of the aqueous-phase reaction of OH radicals with formate, formic acid, acetate, acetic acid, and hydrated formaldehyde. Aquatic and surface photochemistry, Helz, Zepp and Crosby editor.
    • Chin, M., Wine, P.H., 1994. A temperature dependent competitive kinetics study of the aqueous-phase reaction of OH radicals with formate, formic acid, acetate, acetic acid, and hydrated formaldehyde. Aquatic and surface photochemistry, Helz, Zepp and Crosby editor.
  • 17
    • 0001876534 scopus 로고
    • Reactions of hydroxyl radicals with hydrogen peroxide at ambient and elevated temperatures
    • Christensen H., Sehested K., and Corfitzen H. Reactions of hydroxyl radicals with hydrogen peroxide at ambient and elevated temperatures. Journal of Physical Chemistry 86 (1982) 1588-1590
    • (1982) Journal of Physical Chemistry , vol.86 , pp. 1588-1590
    • Christensen, H.1    Sehested, K.2    Corfitzen, H.3
  • 18
    • 0037213812 scopus 로고    scopus 로고
    • Neural network method to estimate the aqueous rate constants for the OH reactions with organic compounds
    • Dutot A.-L., Rude J., and Aumont B. Neural network method to estimate the aqueous rate constants for the OH reactions with organic compounds. Atmospheric Environment 37 (2003) 269-276
    • (2003) Atmospheric Environment , vol.37 , pp. 269-276
    • Dutot, A.-L.1    Rude, J.2    Aumont, B.3
  • 19
    • 0021608921 scopus 로고
    • Rate constants for reactions of hydroxyl radicals as a function of temperature
    • Elliot J.A., and Simsons A.S. Rate constants for reactions of hydroxyl radicals as a function of temperature. Radiation Physics and Chemistry 24 2 (1984) 229-231
    • (1984) Radiation Physics and Chemistry , vol.24 , Issue.2 , pp. 229-231
    • Elliot, J.A.1    Simsons, A.S.2
  • 20
    • 0024903858 scopus 로고
    • Effect of temperature on O reactions and equilibria: a pulse radiolysis study
    • Elliot A.J., and McCracken D.R. Effect of temperature on O reactions and equilibria: a pulse radiolysis study. Radiation Physics and Chemistry 33 1 (1989) 69-74
    • (1989) Radiation Physics and Chemistry , vol.33 , Issue.1 , pp. 69-74
    • Elliot, A.J.1    McCracken, D.R.2
  • 22
    • 0038330732 scopus 로고    scopus 로고
    • Temperature-dependent rate constants for hydroxyl radical reactions with organic compounds in aqueous solutions
    • Ervens B., Gligorovski S., and Herrmann H. Temperature-dependent rate constants for hydroxyl radical reactions with organic compounds in aqueous solutions. Physical Chemistry and Chemical Physics 5 (2003) 1811-1824
    • (2003) Physical Chemistry and Chemical Physics , vol.5 , pp. 1811-1824
    • Ervens, B.1    Gligorovski, S.2    Herrmann, H.3
  • 23
    • 6444222911 scopus 로고    scopus 로고
    • A modeling study of aqueous production of dicarboxylic acids, 1. Chemical pathways and organic mass production
    • Ervens B., Feingold G., Frost G.J., and Kreidenweis S.M. A modeling study of aqueous production of dicarboxylic acids, 1. Chemical pathways and organic mass production. Journal of Geophysical Research 109 (2004) D15205
    • (2004) Journal of Geophysical Research , vol.109
    • Ervens, B.1    Feingold, G.2    Frost, G.J.3    Kreidenweis, S.M.4
  • 25
    • 18844424175 scopus 로고
    • Inertia and driving force of chemical reactions
    • Evans M.G., and Polanyi M. Inertia and driving force of chemical reactions. Transaction Faraday Society 34 (1938) 11
    • (1938) Transaction Faraday Society , vol.34 , pp. 11
    • Evans, M.G.1    Polanyi, M.2
  • 26
    • 0343737712 scopus 로고
    • Electronic processes in pulse-irradiated aqueous and alcoholic systems
    • Fisher M.M., and Hamill W.H. Electronic processes in pulse-irradiated aqueous and alcoholic systems. Journal of Physical Chemistry 77 (1973) 171-177
    • (1973) Journal of Physical Chemistry , vol.77 , pp. 171-177
    • Fisher, M.M.1    Hamill, W.H.2
  • 29
    • 0024344086 scopus 로고
    • Advancements of radiation induced degradation of pollutants in drinking and wastewater
    • Getoff N. Advancements of radiation induced degradation of pollutants in drinking and wastewater. Applied Radiation and Isotopes 40 (1989) 585-594
    • (1989) Applied Radiation and Isotopes , vol.40 , pp. 585-594
    • Getoff, N.1
  • 30
    • 0025980681 scopus 로고
    • Radiation- and photoinduced degradation of pollutants in water. A comparative study
    • Getoff N. Radiation- and photoinduced degradation of pollutants in water. A comparative study. Radiation Physics and Chemistry 37 (1991) 673-680
    • (1991) Radiation Physics and Chemistry , vol.37 , pp. 673-680
    • Getoff, N.1
  • 31
    • 4644220422 scopus 로고    scopus 로고
    • Kinetics of reactions of OH with organic carbonyl compounds in aqueous solution
    • Gligorovski S., and Herrmann H. Kinetics of reactions of OH with organic carbonyl compounds in aqueous solution. Physical Chemistry and Chemical Physics 6 (2004) 4118-4126
    • (2004) Physical Chemistry and Chemical Physics , vol.6 , pp. 4118-4126
    • Gligorovski, S.1    Herrmann, H.2
  • 33
    • 0013454903 scopus 로고
    • Pulse radiolysis studies of reactions of primary species in water with nucleic acid derivatives
    • Greenstock C.L., Ng M., and Hunt J.W. Pulse radiolysis studies of reactions of primary species in water with nucleic acid derivatives. Advances in Chemistry Series 81 (1968) 397-417
    • (1968) Advances in Chemistry Series , vol.81 , pp. 397-417
    • Greenstock, C.L.1    Ng, M.2    Hunt, J.W.3
  • 34
    • 0348144682 scopus 로고    scopus 로고
    • Kinetics of aqueous phase reactions relevant for atmospheric chemistry
    • Herrmann H. Kinetics of aqueous phase reactions relevant for atmospheric chemistry. Chemical reviews 103 (2003) 4691-4716
    • (2003) Chemical reviews , vol.103 , pp. 4691-4716
    • Herrmann, H.1
  • 36
    • 0004815397 scopus 로고
    • Absorption spectra and kinetics of methyl and ethyl radicals in water
    • Hickel B. Absorption spectra and kinetics of methyl and ethyl radicals in water. Journal of Physical Chemistry 79 (1975) 1054-1059
    • (1975) Journal of Physical Chemistry , vol.79 , pp. 1054-1059
    • Hickel, B.1
  • 37
    • 0542443644 scopus 로고
    • A Re-examination of the Hammett Equation
    • Jaffé H.H. A Re-examination of the Hammett Equation. Chemical Review 53 (1953) 191-261
    • (1953) Chemical Review , vol.53 , pp. 191-261
    • Jaffé, H.H.1
  • 38
    • 0028990418 scopus 로고
    • Estimation of hydroxyl radical reaction rate constants for gas-phase organic compounds using a structure-reactivity relationship: an update
    • Kwok E.S.C., and Atkinson R. Estimation of hydroxyl radical reaction rate constants for gas-phase organic compounds using a structure-reactivity relationship: an update. Atmospheric Environment 29 (1995) 1685-1695
    • (1995) Atmospheric Environment , vol.29 , pp. 1685-1695
    • Kwok, E.S.C.1    Atkinson, R.2
  • 39
    • 37049084962 scopus 로고
    • Redox reactions of organic radicals with ferrocene/ferricenium species in aqueous solution. Part 1. Radicals derived from carboxylic acids
    • Logan S.R. Redox reactions of organic radicals with ferrocene/ferricenium species in aqueous solution. Part 1. Radicals derived from carboxylic acids. Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999) 7 (1989) 751-754
    • (1989) Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999) , vol.7 , pp. 751-754
    • Logan, S.R.1
  • 41
    • 0001716561 scopus 로고
    • Measurement by benzoate radiolytic decarboxylation of relative rate constants for hydroxyl radical reactions
    • Matthews R.W., and Sangster D.F. Measurement by benzoate radiolytic decarboxylation of relative rate constants for hydroxyl radical reactions. Journal of Physical Chemistry 69 (1965) 1938-1946
    • (1965) Journal of Physical Chemistry , vol.69 , pp. 1938-1946
    • Matthews, R.W.1    Sangster, D.F.2
  • 42
    • 0038066884 scopus 로고
    • Some oxidation involving the free hydroxyl radical
    • Merz J.H., and Waters W.A. Some oxidation involving the free hydroxyl radical. Journal of the Chemical Society Suppl. (1949) S15-S25
    • (1949) Journal of the Chemical Society , Issue.SUPPL
    • Merz, J.H.1    Waters, W.A.2
  • 43
    • 0032586574 scopus 로고    scopus 로고
    • Impact of clouds on tropospheric ozone budget: direct effect of multiphase photochemistry of soluble organic compounds
    • Monod A., and Carlier P. Impact of clouds on tropospheric ozone budget: direct effect of multiphase photochemistry of soluble organic compounds. Atmospheric Environment 33 (1999) 4431-4446
    • (1999) Atmospheric Environment , vol.33 , pp. 4431-4446
    • Monod, A.1    Carlier, P.2
  • 44
    • 27844452017 scopus 로고    scopus 로고
    • Kinetics of OH-initiated oxidation of oxygenated organic compounds in the aqueous phase: new rate constants, structure-activity relationships and atmospheric implications
    • Monod A., Poulain L., Grubert S., Voisin D., and Wortham H. Kinetics of OH-initiated oxidation of oxygenated organic compounds in the aqueous phase: new rate constants, structure-activity relationships and atmospheric implications. Atmospheric Environment 39 (2005) 7667-7688
    • (2005) Atmospheric Environment , vol.39 , pp. 7667-7688
    • Monod, A.1    Poulain, L.2    Grubert, S.3    Voisin, D.4    Wortham, H.5
  • 45
  • 47
    • 0027372564 scopus 로고
    • Competitive measurement of rate constants for hydroxyl radical reactions using radiolytic hydroxylation of benzoate
    • Motohashi N., and Saito Y. Competitive measurement of rate constants for hydroxyl radical reactions using radiolytic hydroxylation of benzoate. Chemical & Pharmaceutical Bulletin 41 (1993) 1842-1845
    • (1993) Chemical & Pharmaceutical Bulletin , vol.41 , pp. 1842-1845
    • Motohashi, N.1    Saito, Y.2
  • 48
    • 0000331305 scopus 로고
    • Pivalic acid as combined buffer and scavenger for studies of cloud water chemistry with pulse radiolysis
    • Nauser T., and Buehler R.E. Pivalic acid as combined buffer and scavenger for studies of cloud water chemistry with pulse radiolysis. Journal of the Chemical Society, Faraday Transactions 90 (1994) 3651-3656
    • (1994) Journal of the Chemical Society, Faraday Transactions , vol.90 , pp. 3651-3656
    • Nauser, T.1    Buehler, R.E.2
  • 49
    • 0001664542 scopus 로고
    • Pulse radiolysis studies. XIII. Rate constants for the reactions of hydroxyl radicals with aromatic compounds in aqueous solutions
    • Neta P., and Dorfman L.M. Pulse radiolysis studies. XIII. Rate constants for the reactions of hydroxyl radicals with aromatic compounds in aqueous solutions. Advances in Chemistry Series 81 (1968) 222-230
    • (1968) Advances in Chemistry Series , vol.81 , pp. 222-230
    • Neta, P.1    Dorfman, L.M.2
  • 52
    • 33846889538 scopus 로고    scopus 로고
    • Development of a new on-line mass spectrometer to study the reactivity of soluble organic compounds in the aqueous phase under tropospheric conditions: application to OH-oxidation of N-methylpyrrolidone
    • Poulain L., Monod A., and Wortham H. Development of a new on-line mass spectrometer to study the reactivity of soluble organic compounds in the aqueous phase under tropospheric conditions: application to OH-oxidation of N-methylpyrrolidone. Journal of Photochemistry and Photobiology A, Chemistry 187 (2007) 10-23
    • (2007) Journal of Photochemistry and Photobiology A, Chemistry , vol.187 , pp. 10-23
    • Poulain, L.1    Monod, A.2    Wortham, H.3
  • 53
    • 0039577013 scopus 로고
    • Pulse radiolysis of cyclopentane in aqueous solutions
    • Rabani J., Pick M., and Simic M. Pulse radiolysis of cyclopentane in aqueous solutions. Journal of Physical Chemistry 78 (1974) 1049-1051
    • (1974) Journal of Physical Chemistry , vol.78 , pp. 1049-1051
    • Rabani, J.1    Pick, M.2    Simic, M.3
  • 55
    • 0001777530 scopus 로고
    • Low selectivity of the reaction of hydroxy radicals with alkanes in aqueous solutions
    • Rudakov E.S., Volkova L.K., and Tret'yakov. Low selectivity of the reaction of hydroxy radicals with alkanes in aqueous solutions. Reaction Kinetics and Catalysis Letters 16 (1981) 333-337
    • (1981) Reaction Kinetics and Catalysis Letters , vol.16 , pp. 333-337
    • Rudakov, E.S.1    Volkova, L.K.2    Tret'yakov3
  • 56
    • 53949115287 scopus 로고
    • Kinetics of the oxidation of alkanes in hydrogen peroxide-iron(2+)-iron(3+) aqueous solutions
    • Rudakov E.S., Volkova L.K., Tret'yakov V.P., and Zamashchikov V.V. Kinetics of the oxidation of alkanes in hydrogen peroxide-iron(2+)-iron(3+) aqueous solutions. Kinetika i Kataliz 23 (1982) 26-33
    • (1982) Kinetika i Kataliz , vol.23 , pp. 26-33
    • Rudakov, E.S.1    Volkova, L.K.2    Tret'yakov, V.P.3    Zamashchikov, V.V.4
  • 57
    • 53949121164 scopus 로고
    • Cage effect in hydrogen abstraction from alkanes by hydroxyl radicals and atomic chlorine and bromine
    • Rudakov E.S., and Volkova L.K. Cage effect in hydrogen abstraction from alkanes by hydroxyl radicals and atomic chlorine and bromine. Khimicheskaya Fizika 5 (1986) 45-53
    • (1986) Khimicheskaya Fizika , vol.5 , pp. 45-53
    • Rudakov, E.S.1    Volkova, L.K.2
  • 59
    • 0000404458 scopus 로고
    • γ -Radiolysis of aqueous thymine solutions. Determination of relative reaction rates of hydroxyl radicals
    • Scholes G., and Willson R.L. γ -Radiolysis of aqueous thymine solutions. Determination of relative reaction rates of hydroxyl radicals. Transactions of the Faraday Society 63 (1967) 2983-2993
    • (1967) Transactions of the Faraday Society , vol.63 , pp. 2983-2993
    • Scholes, G.1    Willson, R.L.2
  • 61
    • 33847803193 scopus 로고
    • Oxidation and fragmentation of some phenyl-substituted alcohols and ethers by peroxydisulfate and Fenton's reagent
    • Snook M.E., and Hamilton G.A. Oxidation and fragmentation of some phenyl-substituted alcohols and ethers by peroxydisulfate and Fenton's reagent. Journal of the American Chemical Society 96 (1974) 860-869
    • (1974) Journal of the American Chemical Society , vol.96 , pp. 860-869
    • Snook, M.E.1    Hamilton, G.A.2
  • 62
    • 0040168471 scopus 로고
    • Radiolysis of aqueous solutions of cyclopentane and cyclopentene
    • Soylemez T., and Schuler R.H. Radiolysis of aqueous solutions of cyclopentane and cyclopentene. Journal of Physical Chemistry 78 (1974) 1052-1062
    • (1974) Journal of Physical Chemistry , vol.78 , pp. 1052-1062
    • Soylemez, T.1    Schuler, R.H.2
  • 64
    • 0033580396 scopus 로고    scopus 로고
    • Snowpack production of formaldehyde and its effect on theArctic troposphere
    • Sumner A.L., and Shepson P.B. Snowpack production of formaldehyde and its effect on theArctic troposphere. Nature 398 (1999) 230-233
    • (1999) Nature , vol.398 , pp. 230-233
    • Sumner, A.L.1    Shepson, P.B.2
  • 67
  • 68
    • 0001253869 scopus 로고
    • OH-radical-induced crosslinking and strand breakage of poly(vinyl alcohol) in aqueous solution in the absence and presence of oxygen. A pulse radiolysis and product study
    • Ulanski P., Bothe E., Rosiak J.M., and von Sonntag C. OH-radical-induced crosslinking and strand breakage of poly(vinyl alcohol) in aqueous solution in the absence and presence of oxygen. A pulse radiolysis and product study. Macromolecular Chemistry and Physics 195 (1994) 1443-1461
    • (1994) Macromolecular Chemistry and Physics , vol.195 , pp. 1443-1461
    • Ulanski, P.1    Bothe, E.2    Rosiak, J.M.3    von Sonntag, C.4
  • 69
    • 1442294959 scopus 로고
    • Time resolved ESR spectroscopy. IV. Detailed measurements and analysis of the ESR time profile
    • Verma N.C., and Fessenden R.W. Time resolved ESR spectroscopy. IV. Detailed measurements and analysis of the ESR time profile. Journal of Chemical Physics 65 (1976) 2139-2155
    • (1976) Journal of Chemical Physics , vol.65 , pp. 2139-2155
    • Verma, N.C.1    Fessenden, R.W.2
  • 73
    • 34548829834 scopus 로고
    • Radical-cations as reference chromogens in kinetic studies of one-electron-transfer reactions: pulse-radiolysis studies of 2,2′-azinobis(3-ethylbenzothiazoline-6-sulfonate)
    • Wolfenden B.S., and Willson R.L. Radical-cations as reference chromogens in kinetic studies of one-electron-transfer reactions: pulse-radiolysis studies of 2,2′-azinobis(3-ethylbenzothiazoline-6-sulfonate). Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999 7 (1982) 805-812
    • (1982) Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999 , vol.7 , pp. 805-812
    • Wolfenden, B.S.1    Willson, R.L.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.