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Journal Article

Real time band selective F-1-decoupled proton NMR for the demixing of overlay spectra of chiral molecules.

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Nath,  N.
Department of NMR Based Structural Biology, MPI for Biophysical Chemistry, Max Planck Society;

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Citation

Nath, N., Verma, A., Baishya, B., & Khetrapal, C. L. (2017). Real time band selective F-1-decoupled proton NMR for the demixing of overlay spectra of chiral molecules. Magnetic Resonance in Chemistry, 55(6), 553-558. doi:10.1002/mrc.4547.


Cite as: https://hdl.handle.net/11858/00-001M-0000-002D-593B-9
Abstract
The small chemical shift dispersion and complex multiplicity pattern in proton NMR limit quantifications, for instance the determination of enantiomeric excess (ee) for an enantiomeric mixture. Herein, we present a simple proton-proton correlation experiment with band selective homonuclear (BASH) decoupling in both F-1 and F-2 dimensions, for the removal of scalar and residual dipolar couplings to provide collapsed singlet for each chemical site. The method has been demonstrated to separate the severely overlapped spectra of enantiomers using both chiral isotropic and anisotropic phases as well as a small biomolecule, particularly for the diastereotopic protons and also for the determination of ee.