High-Resolution Zero-Field NMR J‑Spectroscopy of Aromatic Compounds

We report the acquisition and interpretation of nuclear magnetic resonance (NMR) J-spectra at zero magnetic field for a series of benzene derivatives, demonstrating the analytical capabilities of zero-field NMR. The zeroth-order spectral patterns do not overlap, which allows for straightforward dete...

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Bibliographic Details
Published inJournal of the American Chemical Society Vol. 135; no. 9; pp. 3607 - 3612
Main Authors Blanchard, John W, Ledbetter, Micah P, Theis, Thomas, Butler, Mark C, Budker, Dmitry, Pines, Alexander
Format Journal Article
LanguageEnglish
Published United States American Chemical Society 06.03.2013
Subjects
Benzene Derivatives - chemistry
Magnetic Fields
Magnetic Resonance Spectroscopy
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Summary:We report the acquisition and interpretation of nuclear magnetic resonance (NMR) J-spectra at zero magnetic field for a series of benzene derivatives, demonstrating the analytical capabilities of zero-field NMR. The zeroth-order spectral patterns do not overlap, which allows for straightforward determination of the spin interactions of substituent functional groups. Higher-order effects cause additional line splittings, revealing additional molecular information. We demonstrate resonance linewidths as narrow as 11 mHz, permitting resolution of minute frequency differences and precise determination of long-range J-couplings. The measurement of J-couplings with the high precision offered by zero-field NMR may allow further refinements in the determination of molecular structure and conformation.
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content type line 23
ISSN:0002-7863
1520-5126
DOI:10.1021/ja312239v