期刊
CHEMICAL PHYSICS LETTERS
卷 580, 期 -, 页码 160-165出版社
ELSEVIER
DOI: 10.1016/j.cplett.2013.06.042
关键词
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资金
- U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering [DE-AC02-05CH11231]
- National Science Foundation [DGE-1106400]
Zero-field nuclear magnetic resonance (NMR) spectroscopy is emerging as a new, potentially portable, and cost-effective NMR modality with the ability to provide information-rich, high-resolution spectra. We present simple rules for analysis of zero-field NMR spectra based on first-order perturbation theory and the addition of angular momenta. These rules allow for the prediction of observed spectral lines without numerical simulation. Results are presented for a few small organic molecules with characteristic spin topologies, demonstrating unambiguous assignment of peaks, highlighting the potential of zero-field NMR as a tool for chemical identification. (C) 2013 Elsevier B.V. All rights reserved.
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