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
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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