Proton, deuteron, and carbon-13 ENDOR studies of labeled 
bis(biphenylenyl)propenyl type radicals in isotropic solutions and in liquid 
crystals

Kirste, Burkhard; Kurreck, Harry; Lubitz, Wolfgang; Zimmermann, Herbert

doi:10.1021/ja00522a062

Item

ITEM ACTIONSEXPORT

Add to Basket

Please note that a newer version of this item is available:
https://pure.mpg.de/pubman/item/item_2573949_2

DetailsSummary

Released

Journal Article

Proton, deuteron, and carbon-13 ENDOR studies of labeled bis(biphenylenyl)propenyl type radicals in isotropic solutions and in liquid crystals

MPS-Authors

/persons/resource/persons128263

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;

External Resource

https://pubs.acs.org/doi/pdf/10.1021/ja00522a062
(Any fulltext)

https://doi.org/10.1021/ja00522a062
(Any fulltext)

Fulltext (restricted access)

There are currently no full texts shared for your IP range.

Fulltext (public)

There are no public fulltexts stored in PuRe

Supplementary Material (public)

There is no public supplementary material available

Citation

Kirste, B., Kurreck, H., Lubitz, W., & Zimmermann, H. (1980). Proton, deuteron, and carbon-13 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.

Cite as: https://hdl.handle.net/21.11116/0000-0001-1A5B-D

Abstract

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.