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  Dynamics in molecular crystals: An application of proton NMR to selectively protonated biphenyl. Do the rings flip together or independently?

Meinel, C., Zimmermann, H., Schmitt, H., & Haeberlen, U. (2003). Dynamics in molecular crystals: An application of proton NMR to selectively protonated biphenyl. Do the rings flip together or independently? Applied Magnetic Resonance, 24(1), 25-40. doi:10.1007/BF03166676.

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Alternative Title : Dynamics in molecular crystals: An application of proton NMR to selectively protonated biphenyl. Do the rings flip together or independently?

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ApplMagReson_24_2003_25.pdf (Any fulltext), 773KB
 
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 Creators:
Meinel, Christoph1, Author              
Zimmermann, Herbert2, 3, Author              
Schmitt, Heike4, Author              
Haeberlen, Ulrich1, Author              
Affiliations:
1Research Group Prof. Dr. Haeberlen, Max Planck Institute for Medical Research, Max Planck Society, ou_1497739              
2Department of Molecular Physics, Max Planck Institute for Medical Research, Max Planck Society, ou_1497705              
3Department of Biomolecular Mechanisms, Max Planck Institute for Medical Research, Max Planck Society, ou_1497700              
4Department of Molecular Neurobiology, Max Planck Institute for Medical Research, Max Planck Society, ou_1497704              

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 Abstract: The synthesis of a specific isotopomer, C6D4H(ortho)-H(ortho)D4C6 of biphenyl is reported. The intramolecular dipolar coupling of the protons leads to a well-resolved single-crystal proton nuclear magnetic resonance (NMR) spectrum and allows one to study the dynamics of the phenyl rings in a unique way. At room temperature and above, the most conspicuous dynamical mode consists of 180° ring flips. The present data together with previous measurements of the total flip rate allow us to conclude that the rings flip almost exclusively independently of each other. Between the incommensurate (IC) phase transition of biphenyl at 38 K andT=250 K, the prominent namical mode consists of oscillatory twists ϕ(t) of the two rings. The data allow us to infer the mean square, (φ2), of these twists. (φ2) is found to grow linearly withT for 50<T<200 K. From the slope of (φ2) vs.T the frequency (the wave numberv~) is derived. The result isv~=20 cm−1. ForT<38 K, the spectra give direct evidence of the IC phase transition and its nature (stripelike rather than quiltlike). The temperature dependence of the magnitude of the order parameter of the IC phase is obtained.

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Language(s): eng - English
 Dates: 2002-10-152003-03-01
 Publication Status: Published in print
 Pages: 12
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 Rev. Type: Peer
 Identifiers: eDoc: 665800
DOI: 10.1007/BF03166676
URI: http://link.springer.com/article/10.1007%2FBF03166676
Other: 6112
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Title: Applied Magnetic Resonance
Source Genre: Journal
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Publ. Info: Springer-Verlag
Pages: - Volume / Issue: 24 (1) Sequence Number: - Start / End Page: 25 - 40 Identifier: ISSN: 0937-9347
CoNE: https://pure.mpg.de/cone/journals/resource/0937-9347