Hydrogen bond lifetimes and equilibria in hydroxyl-functionalized ionic liquids Neumann, Jan , 1992- (VerfasserIn) Ludwig, Ralf , 1961- (AkademischeR BetreuerIn) Bakó, Imre (AkademischeR BetreuerIn) Universität Rostock (Grad-verleihende Institution) Universität Rostock Mathematisch-Naturwissenschaftliche Fakultät (Grad-verleihende Institution) Text theses Text Hochschulschrift 2021 2021 eng electronic resourceremoteComputermedienOnline-Ressource1 Online-Ressource This work investigates the hydrogen bond (HB) lifetimes and equilibrium in hydroxyl-functionalized pyridinium-based ionic liquids. Two types of intermolecular HBs are observed: typical cation-anion HBs are competing with atypical cation-cation HBs . By employing molecular dynamics simulations, the equilibrium between those HBs was examined as a function of temperature and alkyl chain length. In addition, the influence of the different HBs on the structure and dynamics of the ionic liquid are discussed. Also, HB lifetimes where examined.<eng> vorgelegt von Jan Neumann Enthält Zeitschriftenartikel GutachterInnen: Ralf Ludwig (Universität Rostock, Germany) ; Imre Bakó (Research Centre for Natural Sciences, Budapest, Hungary) Dissertation Universität Rostock 2021 Kumulative Dissertation 500 540 541 540 35.22 http://purl.uni-rostock.de/rosdok/id00003394 https://doi.org/10.18453/rosdok_id00003394 https://nbn-resolving.org/urn:nbn:de:gbv:28-rosdok_id00003394-2 https://d-nb.info/129353580X/34 Hydrogen bond lifetimes and equilibria in hydroxyl-functionalized ionic liquids--(DE-627)1780932049 urn:nbn:de:gbv:28-rosdok_id00003394-2 doi: 10.18453/rosdok_id00003394 oclc: 1287952560 ppn: (DE-627)1780512856