Two-dimensional nuclear magnetic resonance spectroscopy

Nuclear Magnetic Resonance (NMR) Spectrometer
"COSY" redirects here. For other uses, see Cosy (disambiguation).

Two-Dimensional Nuclear Magnetic Resonance (2D NMR) is an advanced spectroscopic technique that builds upon the capabilities of one-dimensional (1D) NMR by incorporating an additional frequency dimension. This extension allows for a more comprehensive analysis of molecular structures.[1] In 2D NMR, signals are distributed across two frequency axes, providing improved resolution and separation of overlapping peaks, particularly beneficial for studying complex molecules. This technique identifies correlations between different nuclei within a molecule, facilitating the determination of connectivity, spatial proximity, and dynamic interactions.

2D NMR encompasses a variety of experiments,[1] including COSY (Correlation Spectroscopy), TOCSY (Total Correlation Spectroscopy), NOESY (Nuclear Overhauser Effect Spectroscopy), and HSQC (Heteronuclear Single Quantum Coherence). These techniques are indispensable in fields such as structural biology, where they are pivotal in determining protein and nucleic acid structures; organic chemistry, where they aid in elucidating complex organic molecules; and materials science, where they offer insights into molecular interactions in polymers and metal-organic frameworks. By resolving signals that would typically overlap in the 1D NMR spectra of complex molecules, 2D NMR enhances the clarity of structural information.[1] 2D NMR can provide detailed information about the chemical structure and the three-dimensional arrangement of molecules.

The first two-dimensional experiment, COSY, was proposed by Jean Jeener, a professor at the Université Libre de Bruxelles, in 1971. This experiment was later implemented by Walter P. Aue, Enrico Bartholdi and Richard R. Ernst, who published their work in 1976.[2][3][4]

  1. ^ a b c Ivanov, K.; Madhu, P.K.; Rajalakshmi, G., eds. (14 April 2023). Two-Dimensional (2D) NMR Methods (1 ed.). Wiley. doi:10.1002/9781119806721. ISBN 978-1-119-80669-1.
  2. ^ Aue, W. P.; Bartholdi, E.; Ernst, R. R. (1976). "Two-dimensional spectroscopy. Application to nuclear magnetic resonance". Journal of Chemical Physics. 64 (5): 2229–46. Bibcode:1976JChPh..64.2229A. doi:10.1063/1.432450.
  3. ^ Martin, G. E; Zekter, A. S. (1988). Two-Dimensional NMR Methods for Establishing Molecular Connectivity. New York: VCH Publishers, Inc. p. 59.
  4. ^ Mateescu, Gheorghe D.; Valeriu, Adrian (1993). 2D NMR Density Matrix and Product Operator Treatment. Englewood Cliffs, New Jersey: PTR Prentice Hall.