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Title
Data from: The Impact of pH and NaCl and CaCl2 Salts on the Speciation and Photochemistry of Pyruvic Acid in the Aqueous Phase
Creator
Luo, Man
Grassian, Vicki H
Date Created and/or Issued
Time period of project: 2018-08 to 2020-04
Contributing Institution
UC San Diego, Research Data Curation Program
Collection
Center for Aerosol Impacts on Chemistry of the Environment (CAICE)
Rights Information
Under copyright
Constraint(s) on Use: This work is protected by the U.S. Copyright Law (Title 17, U.S.C.). Use of this work beyond that allowed by "fair use" or any license applied to this work requires written permission of the copyright holder(s). Responsibility for obtaining permissions and any use and distribution of this work rests exclusively with the user and not the UC San Diego Library. Inquiries can be made to the UC San Diego Library program having custody of the work.
Use: This work is available from the UC San Diego Library. This digital copy of the work is intended to support research, teaching, and private study.
Rights Holder and Contact
UC Regents
Description
Publication abstract: Recent studies have shown that pyruvic acid can produce higher-molecular-weight compounds upon irradiation in the aqueous phase. These compounds can contribute to the formation of secondary organic aerosols. There have been several previous studies on the effect of ionic strength on the photochemistry of pyruvic acid, however; few of them investigated the effects of marine relevant salts such as NaCl and CaCl2. In this study, we examine the effect of NaCl and CaCl2, namely the containing coordinating cations Na+ and Ca2+, on the speciation, absorption properties and photoreactivity of pyruvic acid in aqueous solutions of varying pH. NMR shows that both Ca2+ and Na+ further deprotonate pyruvic acid and decrease the diol to ketone ratio of pyruvic acid than in pure water at the same pH, especially at more acidic pH (pH less than 4). The absorption spectrum shows a strong red shift in the peak maxima for the n → π* transition of pyruvic acid in NaCl/CaCl2 solutions. This dependence is much more pronounced for divalent cations (Ca2+) compared to monovalent cations (Na+). Vertical excitation energy calculations of the anionic ketone form of pyruvic acid confirm the same red shift on the n → π* transition peak in the presence of Ca2+. In addition, the presence of NaCl/CaCl2 suppress the photolysis rate of pyruvic acid, which could be due to the deprotonation of pyruvic acid by the cations and the lower photochemical reactivity for pyruvate, the deprotonated form.
Research Data Curation Program, UC San Diego, La Jolla, 92093-0175 (https://lib.ucsd.edu/rdcp)
Luo, Man; Shemesh, Dorit; Sullivan, Michael N.; Alves, Michael R.; Song, Meishi; Gerber, R. Benny; Grassian, Vicki H. (2020). Data from: The Impact of pH and NaCl and CaCl2 Salts on the Speciation and Photochemistry of Pyruvic Acid in the Aqueous Phase. In Center for Aerosol Impacts on Chemistry of the Environment (CAICE). UC San Diego Library Digital Collections. https://doi.org/10.6075/J04M932F
Type
dataset
Identifier
ark:/20775/bb8401319j
Subject
Nuclear Ultraviolet–visible (UV–vis)
Photochemistry
Simulation
Aqueous pyruvic acid

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