Detection of hydrogen bonding in solution: A 2H nuclear magnetic resonance method based on rotational motion of a donor/acceptor complex

Literature Information

Publication Date 2006-08-04
DOI 10.1039/B608147A
Impact Factor 3.676
Authors

Nathaniel K. Szymczak, Alan B. Oelkers, David R. Tyler


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Abstract

The effect of hydrogen bonding on the rotational correlation time of an H-bond acceptor, pyridine N-oxide-d5, in various solvents was investigated using the 2H spin–lattice relaxation time (T1). The results demonstrate a linear relationship between viscosity and measured rotational correlation times, an example of Stokes–Einstein–Debye behavior. The results also clearly demonstrate reduced rotational rates for the probe in hydrogen bonding solvents in comparison to solvents incapable of forming hydrogen bonds with the probe. The utility of this observation was exploited to estimate the association constant (Ka) through an NMR titration procedure. These results are presented as a new technique that can be applied to the characterization of hydrogen bonding in similar systems.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
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Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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