Abstract
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.
Highlights
Starting from the time when Rabi et al demonstrated the first nuclear magnetic resonance (NMR)spectrum in 1938, the dramatic evolution of the technology has been unmatched over the years and deserving of encyclopedias to cover the methods and applications [1,2]
The measurement of dynamic processes by Nuclear magnetic resonance (NMR) has been an integral part of the progress, with the development of Fourier transform NMR (FTNMR) [3] and subsequently the two-dimensional NMR techniques such as the exchange-correlation spectroscopy (EXSY) [4]
This approach further extends the description of the NMR spectroscopy as follows: when a sample containing magnetically active nuclei is placed into a strong magnetic field, and a radio frequency (RF)
Summary
Starting from the time when Rabi et al demonstrated the first nuclear magnetic resonance (NMR). In a classical mechanics-based description, the precision of the net nuclear magnetic moment around an externally applied magnetic field is defined as the Larmor frequency of the nucleus This approach further extends the description of the NMR spectroscopy as follows: when a sample containing magnetically active nuclei is placed into a strong magnetic field, and a radio frequency (RF). In a two-dimensional NMR spectrum, there are two frequency axes, which can correspond to the same kind of nuclei (i.e., 1 H–1 H, homonuclear), with the third dimension representing peak intensity These multi-dimensional and higher-dimensional spectra can be interpreted to yield sequential or long-range connectivity between hydrogen atoms that are either covalently connected (correlation spectra) or are near each other (nuclear Overhauser effect/enhancement spectroscopy, NOESY) in the molecule. There is a wide range of excellent textbooks for the specific needs of the user, as well as scholarly research journals that can be found to enhance particular goals
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