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Molecular Thermodynamics Using Nuclear Magnetic Resonance (NMR) Spectroscopy

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Department of Chemistry, California State University, Fresno, CA 93740, USA
2
Department of Pathology and Laboratory Medicine, School of Medicine, University of California, Davis, CA 95616, USA
Inventions 2019, 4(1), 13; https://doi.org/10.3390/inventions4010013
Received: 18 December 2018 / Revised: 11 February 2019 / Accepted: 14 February 2019 / Published: 21 February 2019
(This article belongs to the Special Issue Thermodynamics in the 21st Century)
Nuclear magnetic resonance (NMR) spectroscopy is perhaps the most widely used technology from the undergraduate teaching labs in organic chemistry to advanced research for the determination of three-dimensional structure as well as dynamics of biomolecular systems... The NMR spectrum of a molecule under a given experimental condition is unique, providing both quantitative and structural information. In particular, the quantitative nature of NMR spectroscopy offers the ability to follow a reaction pathway of the given molecule in a dynamic process under well-defined experimental conditions. To highlight the use of NMR when determining the molecular thermodynamic parameters, a review of three distinct applications developed from our laboratory is presented. These applications include the thermodynamic parameters of (a) molecular oxidation from time-dependent kinetics, (b) intramolecular rotation, and (c) intermolecular exchange. An experimental overview and the method of data analysis are provided so that these applications can be adopted in a range of molecular systems. View Full-Text
Keywords: NMR; thermodynamics; chemical exchange; Eyring equation NMR; thermodynamics; chemical exchange; Eyring equation
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Krishnan, V.V. Molecular Thermodynamics Using Nuclear Magnetic Resonance (NMR) Spectroscopy. Inventions 2019, 4, 13.

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