@article{
 title = {Production and Fate of C 4 Dihydroxycarbonyl Compounds from Isoprene Oxidation},
 type = {article},
 year = {2015},
 identifiers = {[object Object]},
 pages = {106-117},
 volume = {120},
 websites = {http://pubs.acs.org/doi/10.1021/acs.jpca.5b10335},
 publisher = {American Chemical Society},
 id = {46494727-daf3-3af3-a9de-92a8f9d0d6d5},
 created = {2016-09-11T19:11:48.000Z},
 file_attached = {true},
 profile_id = {f8c267c4-4c39-31dc-80fa-3a9691373386},
 group_id = {63e349d6-2c70-3938-9e67-2f6483f6cbab},
 last_modified = {2016-09-11T19:52:28.000Z},
 read = {false},
 starred = {false},
 authored = {false},
 confirmed = {true},
 hidden = {false},
 abstract = {Isoprene epoxydiols (IEPOX) are formed in high yield as\nsecond-generation products of atmospheric isoprene oxidation in pristine\n(low-NO) environments. IEPOX has received significant attention for its\nability to form secondary organic aerosol, but the fate of IEPOX in the\ngas phase, and those of its oxidation products, remains largely\nunexplored. In this study, three dihydroxycarbonyl compounds with\nmolecular formula of C4H8O3, putative products of IEPOX oxidation, are\nsynthesized to determine their isomer-specific yields from IEPOX. We\nfind that 3,4-dihydroxy-2-butanone (DHBO) comprises 43% and 36% of the\nproducts from cis- and trans-beta-IEPOX, respectively, and is by far the\nmost abundant C4H8O3 dihydroxycarbonyl compound produced by this\nmechanism. OH is found to react with DHBO with a rate coefficient of\n1.10 x 10(-11) cm(3) molecule(-1) s(-1) at 297 K, forming two\nhydroxydicarbonyl compounds that share the molecular formula C4H6O3 with\nunitary yield. The results of this study are compared with field\nobservations and used to propose a multigenerational mechanism of IEPOX\noxidation. Finally, global simulations using GEOS-Chem, a chemical\ntransport model, show that the C4H8O3 dihydroxycarbonyl compounds and\ntheir oxidation products are widespread in the atmosphere and estimate\nannual global production of C4H8O3 dihydroxycarbonyls to be 54 Tg y(-1),\nprimarily as DHBO.},
 bibtype = {article},
 author = {Bates, Kelvin H. and Nguyen, Tran B. and Teng, Alex P. and Crounse, John D. and Kjaergaard, Henrik G. and Stoltz, Brian M. and Seinfeld, John H. and Wennberg, Paul O.},
 journal = {Journal of Physical Chemistry A},
 number = {1}
}

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IEPOX has received significant attention for its\\nability to form secondary organic aerosol, but the fate of IEPOX in the\\ngas phase, and those of its oxidation products, remains largely\\nunexplored. In this study, three dihydroxycarbonyl compounds with\\nmolecular formula of C4H8O3, putative products of IEPOX oxidation, are\\nsynthesized to determine their isomer-specific yields from IEPOX. We\\nfind that 3,4-dihydroxy-2-butanone (DHBO) comprises 43% and 36% of the\\nproducts from cis- and trans-beta-IEPOX, respectively, and is by far the\\nmost abundant C4H8O3 dihydroxycarbonyl compound produced by this\\nmechanism. OH is found to react with DHBO with a rate coefficient of\\n1.10 x 10(-11) cm(3) molecule(-1) s(-1) at 297 K, forming two\\nhydroxydicarbonyl compounds that share the molecular formula C4H6O3 with\\nunitary yield. The results of this study are compared with field\\nobservations and used to propose a multigenerational mechanism of IEPOX\\noxidation. Finally, global simulations using GEOS-Chem, a chemical\\ntransport model, show that the C4H8O3 dihydroxycarbonyl compounds and\\ntheir oxidation products are widespread in the atmosphere and estimate\\nannual global production of C4H8O3 dihydroxycarbonyls to be 54 Tg y(-1),\\nprimarily as DHBO.","bibtype":"article","author":"Bates, Kelvin H. and Nguyen, Tran B. and Teng, Alex P. and Crounse, John D. and Kjaergaard, Henrik G. and Stoltz, Brian M. and Seinfeld, John H. and Wennberg, Paul O.","journal":"Journal of Physical Chemistry A","number":"1","bibtex":"@article{\n title = {Production and Fate of C 4 Dihydroxycarbonyl Compounds from Isoprene Oxidation},\n type = {article},\n year = {2015},\n identifiers = {[object Object]},\n pages = {106-117},\n volume = {120},\n websites = {http://pubs.acs.org/doi/10.1021/acs.jpca.5b10335},\n publisher = {American Chemical Society},\n id = {46494727-daf3-3af3-a9de-92a8f9d0d6d5},\n created = {2016-09-11T19:11:48.000Z},\n file_attached = {true},\n profile_id = {f8c267c4-4c39-31dc-80fa-3a9691373386},\n group_id = {63e349d6-2c70-3938-9e67-2f6483f6cbab},\n last_modified = {2016-09-11T19:52:28.000Z},\n read = {false},\n starred = {false},\n authored = {false},\n confirmed = {true},\n hidden = {false},\n abstract = {Isoprene epoxydiols (IEPOX) are formed in high yield as\\nsecond-generation products of atmospheric isoprene oxidation in pristine\\n(low-NO) environments. IEPOX has received significant attention for its\\nability to form secondary organic aerosol, but the fate of IEPOX in the\\ngas phase, and those of its oxidation products, remains largely\\nunexplored. In this study, three dihydroxycarbonyl compounds with\\nmolecular formula of C4H8O3, putative products of IEPOX oxidation, are\\nsynthesized to determine their isomer-specific yields from IEPOX. We\\nfind that 3,4-dihydroxy-2-butanone (DHBO) comprises 43% and 36% of the\\nproducts from cis- and trans-beta-IEPOX, respectively, and is by far the\\nmost abundant C4H8O3 dihydroxycarbonyl compound produced by this\\nmechanism. OH is found to react with DHBO with a rate coefficient of\\n1.10 x 10(-11) cm(3) molecule(-1) s(-1) at 297 K, forming two\\nhydroxydicarbonyl compounds that share the molecular formula C4H6O3 with\\nunitary yield. The results of this study are compared with field\\nobservations and used to propose a multigenerational mechanism of IEPOX\\noxidation. Finally, global simulations using GEOS-Chem, a chemical\\ntransport model, show that the C4H8O3 dihydroxycarbonyl compounds and\\ntheir oxidation products are widespread in the atmosphere and estimate\\nannual global production of C4H8O3 dihydroxycarbonyls to be 54 Tg y(-1),\\nprimarily as DHBO.},\n bibtype = {article},\n author = {Bates, Kelvin H. and Nguyen, Tran B. and Teng, Alex P. and Crounse, John D. and Kjaergaard, Henrik G. and Stoltz, Brian M. and Seinfeld, John H. and Wennberg, Paul O.},\n journal = {Journal of Physical Chemistry A},\n number = {1}\n}","author_short":["Bates, K., H.","Nguyen, T., B.","Teng, A., P.","Crounse, J., D.","Kjaergaard, H., G.","Stoltz, B., M.","Seinfeld, J., H.","Wennberg, P., O."],"urls":{"Paper":"http://bibbase.org/service/mendeley/9edae5ec-3a23-3830-8934-2c27bef6ccbe/file/75046d21-a907-ec17-6efe-850540bdabea/2015-Production_and_Fate_of_C_4_Dihydroxycarbonyl_Compounds_from_Isoprene_Oxidation.pdf.pdf","Website":"http://pubs.acs.org/doi/10.1021/acs.jpca.5b10335"},"bibbaseid":"bates-nguyen-teng-crounse-kjaergaard-stoltz-seinfeld-wennberg-productionandfateofc4dihydroxycarbonylcompoundsfromisopreneoxidation-2015","role":"author","downloads":0},"search_terms":["production","fate","dihydroxycarbonyl","compounds","isoprene","oxidation","bates","nguyen","teng","crounse","kjaergaard","stoltz","seinfeld","wennberg"],"keywords":[],"authorIDs":[]}