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lH, 2H, and 13C ENDOR studies of labeled bis(biphenylenyl)propenyl type radicals in isotropic solutions and in liquid crystals

MPG-Autoren
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Zimmermann,  Herbert
Department of Molecular Physics, Max Planck Institute for Medical Research, Max Planck Society;
Department of Biomolecular Mechanisms, Max Planck Institute for Medical Research, Max Planck Society;
Zimmermann Group, Max Planck Institute for Medical Research, Max Planck Society;
Emeritus Group Biophysics, Max Planck Institute for Medical Research, Max Planck Society;

Externe Ressourcen

https://pubs.acs.org/doi/pdf/10.1021/ja00522a062
(beliebiger Volltext)

https://doi.org/10.1021/ja00522a062
(beliebiger Volltext)

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Zitation

Kirste, B., Kurreck, H., Lubitz, W., & Zimmermann, H. (1980). lH, 2H, and 13C ENDOR studies of labeled bis(biphenylenyl)propenyl type radicals in isotropic solutions and in liquid crystals. Journal of the American Chemical Society, 102(2), 817-825. doi:10.1021/ja00522a062.


Zitierlink: https://hdl.handle.net/21.11116/0000-0001-1A5B-D
Zusammenfassung
Partially deuterated and I3C-labeled bis(bipheny1enyl)propenyl radicals have been studied by means of ESR and
ENDOR spectroscopy. Isotropic and anisotropic hyperfine contributions could be determined from measurements in isotropic
solutions and in nematic and smectic phases of liquid crystals. Assignments of hyperfine coupling constants and shifts to molecular
positions were achieved. Conclusions concerning molecular structure, e.g., twist angles, could be drawn by relating the experimental
data to quantum mechanical calculations. These results could be confirmed by taking account of the I3C hyperfine
shifts determined by ESR and ENDOR experiments. A marked isotope effect on the P-proton hyperfine coupling could
be observed when replacing 1H by 2H in the biphenylenyl moieties. The essential feature of the 2H ENDOR measurements in
liquid crystals is the detection of deuterium quadrupole splittings. The relaxation behavior of the different magnetic nuclei is
discussed. A novel multinuclear ENDOR standard for checking the engineering design of a liquid-phase ENDOR spectrometer is proposed.