| 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.
[English] |
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| document type: |
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| institution: |
| Faculty of Mathematics and Natural Sciences |
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| language: |
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| subject class (DDC): |
| 500 Natural sciences |
| 540 Chemistry & allied sciences |
|
| |
publication /
production: |
Rostock
|
Rostock: Universität Rostock
|
|
2021
|
|
| statement of responsibility: |
| vorgelegt von Jan Neumann |
|
| notes: |
| Enthält Zeitschriftenartikel |
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| identifiers: |
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| access condition: |
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| license/rights statement: |
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| RosDok id: |
rosdok_disshab_0000002645 |
| created / modified: |
07.12.2021 / 08.08.2023
|
| metadata license: |
The metadata of this document was dedicated to the public domain
(CC0 1.0 Universal Public Domain Dedication). |
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