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| Titel |
Thermodynamics and kinetics of the hydrolysis of atmospherically relevant organonitrates and organosulfates |
| VerfasserIn |
K. S. Hu, A. I. Darer, M. J. Elrod |
| Medientyp |
Artikel
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| Sprache |
Englisch
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| ISSN |
1680-7316
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| Digitales Dokument |
URL |
| Erschienen |
In: Atmospheric Chemistry and Physics ; 11, no. 16 ; Nr. 11, no. 16 (2011-08-16), S.8307-8320 |
| Datensatznummer |
250010006
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| Publikation (Nr.) |
 copernicus.org/acp-11-8307-2011.pdf |
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| Zusammenfassung |
| The presence of alcohol, organonitrate, and organosulfate species related to
the gaseous precursor isoprene in ambient secondary organic aerosol (SOA)
has stimulated investigations of the nature of SOA-phase chemical
processing. Recent work has suggested that certain isoprene-derived
organonitrates are able to efficiently convert to organosulfates and
alcohols on ambient SOA. In order to better understand the structure
activity relationships previously observed for the isoprene-derived
organonitrates and organosulfates, the hydrolysis reactions of a number of
monofunctional and difunctional organonitrates and organosulfates with
varying carbon substitution properties were investigated. Nuclear magnetic
resonance techniques were used to study the bulk phase aqueous reactions of
these organonitrates and organosulfates in order to determine hydrolysis
reaction rate and, in some cases, thermodynamics information. Electronic
structure calculations were also carried out to determine the enthalpy of
hydrolysis for these species, and for the previously studied
isoprene-derived species. The results suggest that while organonitrates and
organosulfates are thermodynamically unstable with respect to the
corresponding alcohols at standard state, only the tertiary organonitrates
(and perhaps some tertiary organosulfates) are able to efficiently hydrolyze
on SOA timescales and acidities. |
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