Molecular thermodynamics using nuclear magnetic resonance (NMR) spectroscopy

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8 Scopus citations


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.

Original languageEnglish (US)
Article number13
Issue number1
StatePublished - Mar 1 2019


  • Chemical exchange
  • Eyring equation
  • NMR
  • Thermodynamics

ASJC Scopus subject areas

  • Engineering(all)


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