@misc{EckertMiedemaQuevedoetal.2016,
  author    = {Eckert, Sebastian and Miedema, Piter and Quevedo, Wilson and O'Cinneide, B. and Fondell, Mattis and Beye, Martin and Pietzsch, Annette and Ross, Matthew R. and Khalil, Munira and F{\"o}hlisch, Alexander},
  title     = {Molecular structures and protonation state of 2-Mercaptopyridine in aqueous solution},
  series = {Postprints der Universit{\"a}t Potsdam : Mathematisch-Naturwissenschaftliche Reihe},
  journal   = {Postprints der Universit{\"a}t Potsdam : Mathematisch-Naturwissenschaftliche Reihe},
  number    = {953},
  issn      = {1866-8372},
  doi       = {10.25932/publishup-43747},
  url       = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-437473},
  pages     = {103 -- 106},
  year      = {2016},
  abstract  = {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.},
  language  = {en}
}