Proton relaxation and intermolecular structure of liquid formic acid: a nuclear magnetic resonance study

Literature Information

Publication Date 2002-03-14
DOI 10.1039/B110358J
Impact Factor 3.676
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Abstract

Proton magnetic relaxation rates in liquid formic acid have been measured and rate contributions have been separated and assigned. The assignment has been ascertained by H/D isotopic dilution series and by temperature-dependent measurements. Proton magnetic relaxation in liquid formic acid between 25 °C and 55 °C is dominated by magnetic dipole–dipole interactions between protons, with a minor contribution due to spin–rotation interactions. Suppositions in previous work of substantial additional relaxation mechanisms could not be confirmed. The intermolecular dipolar relaxation rate contribution has been used in conjunction with a theoretical model to obtain the closest intermolecular distances of proton approach and to construct the formic acid pair configuration of maximum occurrence probability in the liquid. The planar pair configuration is characterised by two intermolecular hydrogen bonds, a strong OH⋯O and a weaker CH⋯O. The pair configuration introduced could be a building block for further molecular association and chain-like structures.

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Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

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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