Abstract
The bacteriochlorophyll (BGhl)a cation radical is studied by cw-EPR and multinuclear ENDOR/TRIPLE resonance techniques in liquid solution yielding the hyperfine coupling constants (hfcs) for 12 protons, all 4 nitrogens and the central magnesium nucleus. The H hfcs are assigned to specific molecular positions by various experimental techniques including isotope substitution, H/D exchange experiments and comparison with bacteriochlorophyll derivatives. The determined temperature dependences of the H hfcs are measured and related to dynamical properties of the molecule in solution. The experimental hfcs compare well with those obtained from semiempirical molecular orbital calculations of the RHF-INDO/SP type. The importance of these results for BChl speciesin vivo, i.e., in the protein matrix, is discussed.
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Dedicated to Harry Kurreck on the occasion of his 65th birthday
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Lubitz, W., Lendzian, F., Plato, M. et al. The bacteriochlorophylla cation radical revisited. An ENDOR and TRIPLE resonance study. Appl. Magn. Reson. 13, 531–551 (1997). https://doi.org/10.1007/BF03162225
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DOI: https://doi.org/10.1007/BF03162225