Molecular Thermodynamics Using Nuclear Magnetic Resonance (NMR) Spectroscopy

• Main Author: Viswanathan V. Krishnan
• Format: Article
• Language: English
• Published: MDPI AG 2019-02-01
• Series: Inventions
• Subjects: NMR; thermodynamics; chemical exchange; Eyring equation
• Online Access: https://www.mdpi.com/2411-5134/4/1/13

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.