caa a22 4500 475823699 CHVBK 20180406123825.0 cr unu---uuuuu 170329e20000201xx s 000 0 eng 10.1023/A:1006261217691 doi (NATIONALLICENCE)springer-10.1023/A:1006261217691 Gas-Phase Formation of Water-Soluble Organic Compounds in the Atmosphere: A Retrosynthetic Analysis [Elektronische Daten] [Betty Pun, Christian Seigneur, Daniel Grosjean, Pradeep Saxena] Atmospheric particles contain a myriad of organiccompounds, including many multifunctional,water-soluble organic compounds. Many of thesecompounds are postulated to be secondary of origin. This work investigates the possible precursors ofseveral classes of multifunctional, water-solublesecondary organic compounds by analyzing the pathwaysleading to their formation, based on known gas-phasereactions. The analysis is termed 'sretrosynthetic'due to the backward direction of the analysis, fromproducts to precursors. Pathways for multi-functionalcompounds were generated combinatorially, consideringthe formation of one functional group at a time.Many multifunctional organic compounds with carboxylicacid, carbonyl, and hydroxy functional groups werefound to be first- or second-generation products ofcommon anthropogenic and biogenic volatile organiccompounds such as alkanes, alkenes, aromatics, andcyclic alkenes. The estimated yields of water-solubleorganic compounds from primary precursors ranged fromless than 1% to over 10%, based on stoichiometricconsiderations. The SOA formation index, whichcombines the concepts of yields and rates, was used tocompare the feasibility of the retrosyntheticpathways. Many of the candidate pathways involve theisomerization reaction of alkoxy radicals andoxygenated intermediate products such asmonocarboxylic acids and hydroxyaldehydes. Kluwer Academic Publishers, 2000 water-soluble organic compounds nationallicence multifunctional compounds nationallicence oxygenated functional groups nationallicence secondary organic aerosols nationallicence pathway analysis nationallicence retrosynthetic analysis nationallicence Pun Betty Atmospheric and Environmental Research Inc., 2682 Bishop Drive, Suite 120, 94583, San Ramon, CA, U.S.A. aut Seigneur Christian Atmospheric and Environmental Research Inc., 2682 Bishop Drive, Suite 120, 94583, San Ramon, CA, U.S.A. aut Grosjean Daniel DGA, 4526 Telephone Road, Suite 205, 93003, Ventura, CA, U.S.A. aut Saxena Pradeep EPRI, 3412 Hillview Ave., 94304, Palo Alto, CA, U.S.A. aut Journal of Atmospheric Chemistry Kluwer Academic Publishers 35/2(2000-02-01), 199-223 0167-7764 35:2<199 2000 35 10874 https://doi.org/10.1023/A:1006261217691 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1023/A:1006261217691 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Pun Betty Atmospheric and Environmental Research Inc., 2682 Bishop Drive, Suite 120, 94583, San Ramon, CA, U.S.A aut NATIONALLICENCE 700 1- Seigneur Christian Atmospheric and Environmental Research Inc., 2682 Bishop Drive, Suite 120, 94583, San Ramon, CA, U.S.A aut NATIONALLICENCE 700 1- Grosjean Daniel DGA, 4526 Telephone Road, Suite 205, 93003, Ventura, CA, U.S.A aut NATIONALLICENCE 700 1- Saxena Pradeep EPRI, 3412 Hillview Ave., 94304, Palo Alto, CA, U.S.A aut NATIONALLICENCE 773 0- Journal of Atmospheric Chemistry Kluwer Academic Publishers 35/2(2000-02-01), 199-223 0167-7764 35:2<199 2000 35 10874 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer