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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. Research Data Curation Program, UC San Diego, La Jolla, 92093-0175 (https://lib.ucsd.edu/rdcp ) 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 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. 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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