Data From: Reactions of N2O5 with Salty and Surfactant-Coated Glycerol: Interfacial Conversion of Br– to Br2 Mediated by Alkylammonium Cations
|Scope And Content|| |
The readme file (.pdf) contains contact information for the authors and a description of the data and organization within each file.
|Scope And Content|| |
All data is available in ASCII (.txt) format, organized in columns, with column headers in the first row. Data includes surface tension reduction data, time-of-flight (or time of arrival) spectra from gas-liquid scattering experiments, and integrated ion yields from mass spectra. The zip file originally made available here incorrectly contained data for another study. The zip file was replaced with the correct file on 2017-10-24.
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Shaloski, Michael A.; Gord, Joseph R.; Staudt, Sean; Quinn, Sarah L.; Bertram, Timothy H.; Nathanson, Gilbert M. (2017). Data From: Reactions of N2O5 with Salty and Surfactant-Coated Glycerol: Interfacial Conversion of Br– to Br2 Mediated by Alkylammonium Cations. In Center for Aerosol Impacts on Chemistry of the Environment (CAICE). UC San Diego Library Digital Collections. https://doi.org/10.6075/J0DN437M
Publication abstract: Gas−liquid scattering and product-yield experiments are used to investigate reactions of N2O5 with glycerol containing Br- and surfactant ions. N2O5 oxidizes Br- to Br2 for every solution tested: 2.7 M NaBr, 0.03 M tetrahexylammonium bromide (THABr), 0.03MTHABr + 0.5MNaBr, 0.03MTHABr + 0.5MNaCl, 0.03MTHABr + 0.01 M sodium dodecyl sulfate (SDS), and 0.01 M cetyltrimethylammonium bromide (CTABr). N2O5 also reacts with glycerol itself to produce mono- and dinitroglycerin. Surface tension measurements indicate that 0.03 M THABr and 2.7 M NaBr have similar interfacial Br- concentrations, though their bulk Br- concentrations differ by 90-fold. We find that twice as much Br2 is produced in the presence of THA+, implying that the conversion of Br- to Br2 is initiated at the interface, perhaps mediated by the charged, hydrophobic pocket within the surface THA+ cation. The addition of 0.5 M NaBr, 0.5 M NaCl, or 0.01 M SDS to 0.03 M THABr lowers the Br2 production rate by 23%, 63%, and 67% of the THABr value, respectively. When CTA+ is substituted for THA+,Br2 production drops to 12% of the THABr value. The generation of Br2 under such different conditions implies that trace amounts of surface-active alkylammonium ions can catalyze interfacial N2O5 reactions, even when salts and other surfactants are present.
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This package contains data and an explanatory readme file to reproduce figures 3-7 of “Reactions of N2O5 with Salty and Surfactant-Coated Glycerol: Interfacial Conversion of Br– to Br2 Mediated by Alkylammonium Cations”.
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- Shaloski, M. A.; Gord, J. R.; Staudt, S.; Quinn, S. L.; Bertram, T. H.; Nathanson, G. M. Reactions of N2O5 with Salty and Surfactant-Coated Glycerol: Interfacial Conversion of Br– to Br2 Mediated by Alkylammonium Cations. J. Phys. Chem. A. (2017). 121, 3708–3719. https://doi.org/10.1021/acs.jpca.7b02040
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