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Thermodynamics and Kinetics of the Hydrolysis of Atmospherically Relevant Organonitrates and Organosulfates : Volume 11, Issue 5 (10/05/2011)

By Hu, K. S.

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Book Id: WPLBN0003982406
Format Type: PDF Article :
File Size: Pages 34
Reproduction Date: 2015

Title: Thermodynamics and Kinetics of the Hydrolysis of Atmospherically Relevant Organonitrates and Organosulfates : Volume 11, Issue 5 (10/05/2011)  
Author: Hu, K. S.
Volume: Vol. 11, Issue 5
Language: English
Subject: Science, Atmospheric, Chemistry
Collections: Periodicals: Journal and Magazine Collection (Contemporary), Copernicus GmbH
Publication Date:
Publisher: Copernicus Gmbh, Göttingen, Germany
Member Page: Copernicus Publications


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Elrod, M. J., Darer, A. I., & Hu, K. S. (2011). Thermodynamics and Kinetics of the Hydrolysis of Atmospherically Relevant Organonitrates and Organosulfates : Volume 11, Issue 5 (10/05/2011). Retrieved from

Description: Department of Chemistry and Biochemistry, Oberlin College, Oberlin, Ohio, USA. 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.

Thermodynamics and kinetics of the hydrolysis of atmospherically relevant organonitrates and organosulfates

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