| title: |
| Hydrogen bond lifetimes and equilibria in hydroxyl-functionalized ionic liquids |
|
| contributing persons: |
| Jan Neumann[VerfasserIn] |
 |
1247047768 |
| Ralf Ludwig[AkademischeR BetreuerIn] |
|
136437524 |
|
Universität Rostock, Germany |
| Imre Bakó[AkademischeR BetreuerIn] |
|
Research Centre for Natural Sciences, Budapest, Hungary |
|
| contributing corporate bodies: |
| Universität Rostock[Grad-verleihende Institution] |
|
38329-6 |
| Universität Rostock, Mathematisch-Naturwissenschaftliche Fakultät[Grad-verleihende Institution] |
|
2147083-2 |
|
| |
| abstract: |
|
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.
[Englisch] |
|
| document type: |
|
| institution: |
| Mathematisch-Naturwissenschaftliche Fakultät |
|
| language: |
|
| subject class (DDC): |
| 500 Naturwissenschaften |
| 540 Chemie |
|
| |
publication /
production: |
|
Rostock: Universität Rostock
|
|
2021
|
|
| statement of responsibility: |
| vorgelegt von Jan Neumann |
|
| notes: |
| Enthält Zeitschriftenartikel |
|
| |
| identifiers: |
|
| |
| access condition: |
|
frei zugänglich (Open Access)
|
|
| license/rights statement: |
|
|
| RosDok-ID: |
rosdok_disshab_0000002645 |
| created / modified: |
07.12.2021 / 08.08.2023
|
| metadata license: |
Die Metadaten zu diesem Dokument sind gemeinfrei
(CC0 1.0 Universal Public Domain Dedication). |
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