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  The pathways of the combined Cope rearrangement - molecular reorientation process in solid bullvalene: a deuterium 2D exchange NMR study on a single crystal

Müller, A., Haeberlen, U., Zimmermann, H., Poupko, R., & Luz, Z. (1994). The pathways of the combined Cope rearrangement - molecular reorientation process in solid bullvalene: a deuterium 2D exchange NMR study on a single crystal. Molecular Physics, 81(5), 1239-1258. doi:10.1080/00268979400100831.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-0019-A9D9-D Version Permalink: http://hdl.handle.net/11858/00-001M-0000-002D-067A-1
Genre: Journal Article
Alternative Title : The pathways of the combined Cope rearrangement - molecular reorientation process in solid bullvalene: a deuterium 2D exchange NMR study on a single crystal

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 Creators:
Müller, Andreas1, Author              
Haeberlen, Ulrich1, Author              
Zimmermann, Herbert2, 3, Author              
Poupko, Raphy, Author
Luz, Zeev, 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              

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 Abstract: Deuterium 2D exchange nuclear magnetic resonance (NMR) spectroscopy was used to elucidate the detailed mechanisms of the dynamic processes in solid bullvalene. The measurements were performed in the temperature range of −73 to 10 ˜ on a deuterated single crystal with the magnetic field parallel to the monoclinic plane where the four molecules in the unit cell are magnetically equivalent. In agreement with earlier carbon−13 and deuterium NMR studies, two independent processes were identified: symmetric threefold jump and valence bond isomerization (Cope rearrangement) combined with molecular reorientation. The latter process can proceed in the crystal by nine different pathways, characterized by specific cross peak patterns in the 2D spectrum. Due to the low symmetry at the crystallographic sites of the bullvalene molecules the Cope rearrangement/reorientation process may proceed with different rates along the different pathways. Analyses of the experimental results show that only four pathways are actually active with approximately equal rates

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Language(s): eng - English
 Dates: 1993-09-091993-10-112007-10-261994
 Publication Status: Published in print
 Pages: 20
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 Table of Contents: -
 Rev. Method: Peer
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Title: Molecular Physics
Source Genre: Journal
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Publ. Info: London : Taylor & Francis
Pages: - Volume / Issue: 81 (5) Sequence Number: - Start / End Page: 1239 - 1258 Identifier: ISSN: 0026-8976
CoNE: https://pure.mpg.de/cone/journals/resource/954925264211