Molecular structures and protonation state of 2-Mercaptopyridine in aqueous solution
- The speciation of 2-Mercaptopyridine in aqueous solution has been investigated with nitrogen 1s Near Edge X-ray Absorption Fine Structure spectroscopy and time dependent Density Functional Theory. The prevalence of distinct species as a function of the solvent basicity is established. No indications of dimerization towards high concentrations are found. The determination of different molecular structures of 2-Mercaptopyridine in aqueous solution is put into the context of proton-transfer in keto-enol and thione-thiol tautomerisms. (C) 2016 The Authors. Published by Elsevier B.V.
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| Author details: | Sebastian Oliver EckertORCiDGND, Piter MiedemaORCiD, Wilson Quevedo, B. O'Cinneide, Mattis FondellORCiD, Martin BeyeORCiDGND, Annette PietzschORCiD, Matthew R. Ross, Munira Khalil, Alexander FöhlischORCiDGND |
|---|---|
| URN: | urn:nbn:de:kobv:517-opus4-437473 |
| DOI: | https://doi.org/10.25932/publishup-43747 |
| ISSN: | 1866-8372 |
| Title of parent work (German): | Postprints der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe |
| Publication series (Volume number): | Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe (953) |
| Publication type: | Postprint |
| Language: | English |
| Date of first publication: | 2020/06/10 |
| Publication year: | 2016 |
| Publishing institution: | Universität Potsdam |
| Release date: | 2020/06/10 |
| Tag: | CU(110); hydroxypyridine-pyridone; protomeric equilibria; ray-emission-spectroscopy; self-association; valence; x-ray |
| Issue: | 953 |
| Number of pages: | 6 |
| First page: | 103 |
| Last Page: | 106 |
| Source: | Chemical Physics Letters 647 (2016) 103-106 DOI: 10.1016/j.cplett.2016.01.050 |
| Organizational units: | Mathematisch-Naturwissenschaftliche Fakultät |
| DDC classification: | 5 Naturwissenschaften und Mathematik / 54 Chemie / 540 Chemie und zugeordnete Wissenschaften |
| Peer review: | Referiert |
| Publishing method: | Open Access |
| Grantor: | Horizon 2020 |
| License (German): |  CC-BY-NC-ND - Namensnennung, nicht kommerziell, keine Bearbeitungen 4.0 International |
| External remark: | Bibliographieeintrag der Originalveröffentlichung/Quelle |
