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  ELDOR-detected NMR: A general and robust method for electron-nuclear hyperfine spectroscopy?

Cox, N., Nalepa, A. I., Lubitz, W., & Savitsky, A. (2017). ELDOR-detected NMR: A general and robust method for electron-nuclear hyperfine spectroscopy? Journal of Magnetic Resonance Series B, 280(Sp. Iss. SI), 63-78. doi:10.1016/j.jmr.2017.04.006.

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Cox, Nicholas1, Author           
Nalepa, Anna Irena1, Author           
Lubitz, Wolfgang1, Author           
Savitsky, Anton1, Author           
Affiliations:
1Research Department Lubitz, Max Planck Institute for Chemical Energy Conversion, Max Planck Society, ou_3023873              

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 Abstract: ELDOR-detected NMR (EDNMR) performed at higher magnetic fields is becoming an increasingly popular alternative to conventional ENDOR for the characterization of electron-nuclear hyperfine interactions owing to its enhanced sensitivity. However there are two key problems that limit its widespread adoption, with factors controlling: (i) lineshape distortions and; (ii) overall spectral resolution, still largely understood only at a qualitative level. Indeed highly anisotropic (dipolar) coupled species are particularly problematic in the EDNMR experiment. Nor is it clear as to whether line intensities measured in EDNMR can provide quantitative information. Here we describe how all these problems can be overcome for a nitroxide radical as model system. We introduce a simulation procedure/protocol for the simulation of EDNMR line-shapes collected over a range of high turning angle (HTA) pulse lengths. It is shown that spectral line-shapes can be robustly reproduced and that the intensities of spectral lines and the spin nutation behavior can be quantitatively assessed. This broadens the scope of the EDNMR experiment as a generally applicable, quantitative double resonance method. (C) 2017 Elsevier Inc. All rights reserved.

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Language(s): eng - English
 Dates: 2017
 Publication Status: Issued
 Pages: -
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 Table of Contents: -
 Rev. Type: Peer
 Identifiers: eDoc: 733848
ISI: 000403738400007
DOI: 10.1016/j.jmr.2017.04.006
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Title: Journal of Magnetic Resonance Series B
  Other : J. Magn. Reson. Ser. B
Source Genre: Journal
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Publ. Info: Orlando, Fla. : Academic Press
Pages: - Volume / Issue: 280 (Sp. Iss. SI) Sequence Number: - Start / End Page: 63 - 78 Identifier: ISSN: 1064-1866
CoNE: https://pure.mpg.de/cone/journals/resource/954922651175