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

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• 作者：John W. Blanchard ; Micah P. Ledbetter ; Thomas Theis ; Mark C. Butler ; Dmitry Budker ; Alexander Pines
• 刊名：The Journal of the American Chemical Society
• 出版年：2013
• 出版时间：March 6, 2013
• 年：2013
• 卷：135
• 期：9
• 页码：3607-3612
• 全文大小：348K
• 年卷期：v.135,no.9(March 6, 2013)
• ISSN：1520-5126

文摘

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.