Simultaneous determination of deuteron quadrupole coupling constants and rotational correlation times: the model case of hydrogen bonded ionic liquids
Autor: | Dzmitry H. Zaitsau, Dirk Michalik, Alexander G. Stepanov, Alexander E. Khudozhitkov, Daniil I. Kolokolov, Viviane Overbeck, Anne Strate, Dietmar Paschek, Andreas Appelhagen, Peter Stange, Ralf Ludwig |
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Rok vydání: | 2019 |
Předmět: |
chemistry.chemical_classification
Coupling constant Materials science Hydrogen Hydrogen bond General Physics and Astronomy chemistry.chemical_element 02 engineering and technology 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences 0104 chemical sciences Ion chemistry.chemical_compound chemistry Deuterium Chemical physics Ionic liquid Quadrupole Physical and Theoretical Chemistry 0210 nano-technology Alkyl |
Zdroj: | Physical chemistry chemical physics : PCCP. 21(46) |
ISSN: | 1463-9084 |
Popis: | We show that deuteron quadrupole coupling constants (DQCCs), and reorientational correlation times of molecular bonds N-D that are involved in hydrogen bonding, can be determined from NMR T1 relaxation time experiments simultaneously. For this purpose, we used trialkylammonium-based protic ionic liquids (PILs) as model compounds. They exhibit high viscosities and wide liquid ranges that allow measurements far beyond the extreme narrowing region (ω0τc ≪ 1). The T1 minima already occur at temperatures significantly above room temperature. We obtain reasonable DQCCs for the liquid phase if anisotropic motion is considered. The DQCCs are very small due to attractive Coulomb interaction between the cation and anion, which is further enhanced by hydrogen bonding. The DQCCs strongly depend on the interaction strength of the anion but are independent of the alkyl chain length of the trialkyl ammonium cations pointing to the exclusive cation-anion interaction along the hydrogen bond. |
Databáze: | OpenAIRE |
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