TY  - GEN
A1  - Eckert, Sebastian
A1  - Miedema, Piter
A1  - Quevedo, Wilson
A1  - O'Cinneide, B.
A1  - Fondell, Mattis
A1  - Beye, Martin
A1  - Pietzsch, Annette
A1  - Ross, Matthew R.
A1  - Khalil, Munira
A1  - Föhlisch, Alexander
T1  - Molecular structures and protonation state of 2-Mercaptopyridine in aqueous solution
T2  - Postprints der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe
N2  - 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.
T3  - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - 953 
KW  - ray-emission-spectroscopy
KW  - x-ray
KW  - hydroxypyridine-pyridone
KW  - protomeric equilibria
KW  - self-association
KW  - CU(110)
KW  - valence
Y1  - 2020
UR  - https://publishup.uni-potsdam.de/frontdoor/index/index/docId/43747
UR  - https://nbn-resolving.org/urn:nbn:de:kobv:517-opus4-437473
SN  - 1866-8372
IS  - 953
SP  - 103
EP  - 106
ER  -