Výsledky vyhledávání

Understanding the Nature of Nuclear Magnetic Resonance Relaxation by Means of Fast-Field-Cycling Relaxometry and Molecular Dynamics Simulations—The Validity of Relaxation Models

Autor: Ralf Ludwig, Philipp Honegger, Viviane Overbeck, Christian Schröder, Othmar Steinhauser, Esther Heid, Anne Strate, Marion Sappl, Andreas Appelhagen

Publikováno v: The Journal of Physical Chemistry Letters. 11:2165-2170

Fast-field-cycling relaxometry is a nuclear magnetic resonance method growing in popularity; yet, theoretical interpretation is limited to analytical models of uncertain accuracy. We present the first study calculating fast-field-cycling dipolar coup

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bfba8f4c362f2a8ce9c07a08b509df0c
https://doi.org/10.1021/acs.jpclett.0c00087

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Counting cations involved in cationic clusters of hydroxy-functionalized ionic liquids by means of infrared and solid-state NMR spectroscopy

Autor: Dietmar Paschek, Daniil I. Kolokolov, Thomas Niemann, Alexander E. Khudozhitkov, Jan Neumann, Peter Stange, Anne Strate, Ralf Ludwig, Alexander G. Stepanov

Publikováno v: Physical Chemistry Chemical Physics. 22:6861-6867

In hydroxy-functionalized ionic liquids, two types of hydrogen bonding coexist: the conventional H-bonds between cation and anion (c-a) and those between cation and cation (c-c), although the interaction between like-charged ions is supposed to be mu

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::62bb3d40845433610774a9a300777c85
https://doi.org/10.1039/d0cp00303d

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Three in One: The Versatility of Hydrogen Bonding Interaction in Halide Salts with Hydroxy-Functionalized Pyridinium Cations

Autor: Anne Strate, Ralf Ludwig, Alexander Villinger, Loai Al Sheakh, Peter Stange, Dzmitry H. Zaitsau, Thomas Niemann

Publikováno v: Chemphyschem

The paradigm of supramolecular chemistry relies on the delicate balance of noncovalent forces. Here we present a systematic approach for controlling the structural versatility of halide salts by the nature of hydrogen bonding interactions. We synthes

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3255e081ccd6d75205c190fb2e02951c
https://pubmed.ncbi.nlm.nih.gov/34241946

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Kinetics of Hydrogen Bonding between Ions with Opposite and Like Charges in Hydroxyl-Functionalized Ionic Liquids

Autor: Ralf Ludwig, Jan Neumann, Dietmar Paschek, Anne Strate

Publikováno v: The journal of physical chemistry. B. 125(1)

Hydrogen-bonded structures and their lifetimes in ionic liquids (ILs) are governed by the subtle balance between Coulomb interactions, hydrogen bonding, and dispersion forces. Despite the dominant Coulomb interaction, local and directional hydrogen b

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d8382b8a167c10283bfd05a8b5e9e047
https://pubmed.ncbi.nlm.nih.gov/33356283

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When hydrogen bonding overcomes Coulomb repulsion: from kinetic to thermodynamic stability of cationic dimers

Autor: Ralf Ludwig, Peter Stange, Anne Strate, Thomas Niemann

Publikováno v: Physical Chemistry Chemical Physics. 21:8215-8220

Quantum chemical calculations have been employed to study the kinetic and thermodynamic stability of hydroxy-functionalized 1-(3-hydroxyalkyl)pyridinium cationic dimers. For [Py-(CH2)n-OH+]2 structures with n = 2-17 we have calculated the robust loca

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::386a80b25cb97d8a9a8955db0b8f5ba5
https://doi.org/10.1039/c8cp06417b

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Spectroscopic Evidence for an Attractive Cation–Cation Interaction in Hydroxy‐Functionalized Ionic Liquids: A Hydrogen‐Bonded Chain‐like Trimer

Autor: Anne Strate, Ralf Ludwig, Fabian S. Menges, Thomas Niemann, Mark A. Johnson, Helen J Zeng

Publikováno v: Angewandte Chemie International Edition. 57:15364-15368

We address the formation of hydrogen bonded domains among the cationic constituents of the ionic liquid (IL) 1-(3-hydroxypropyl)pyridinium tetrafluoroborate [HPPy][BF4 ] by means of cryogenic ion vibrational predissociation spectroscopy of cold (ca.

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5fb3d4134e125f182e06809d51e75f43
https://doi.org/10.1002/anie.201808381

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Like‐likes‐Like: Cooperative Hydrogen Bonding Overcomes Coulomb Repulsion in Cationic Clusters with Net Charges up to Q =+6 e

Autor: Thomas Niemann, Anne Strate, Peter Stange, Ralf Ludwig

Publikováno v: Chemphyschem

Quantum chemical calculations have been employed to study kinetically stable cationic clusters, wherein the monovalent cations are trapped by hydrogen bonding despite strongly repulsive electrostatic forces. We calculated linear and cyclic clusters o

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fa0f7c92946abdab76362cf824760012
https://doi.org/10.1002/cphc.201800293

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The influence of like-charge attraction on the structure and dynamics of ionic liquids: NMR chemical shifts, quadrupole coupling constants, rotational correlation times and failure of Stokes–Einstein–Debye

Autor: Viviane Overbeck, Anne Strate, Anne-Marie Bonsa, Dietmar Paschek, Jan Neumann, Dirk Michalik, Thomas Niemann, Viktoria Lehde, Ralf Ludwig

Publikováno v: Physical Chemistry Chemical Physics. 20:5617-5625

Ion pairing is one of the most fundamental atomic interactions in chemistry and biology. In contrast, pairing between like-charged ions remains an elusive concept. So far, this phenomenon was observed only for large-scaled structures, assemblies, sta

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3364832c09eae2f5caea71c7a1fefd3d
https://doi.org/10.1039/c7cp06454c

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