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0343434647
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30
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0342999147
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11 This results in a larger number of allowed transitions and, therefore, in significant overlap of absorption features in the region of band II. In addition, temperature effects in the mull spectra are attenuated due to light scattering effects (cf. Figures 1 (inset) and 2).
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0003700665
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A ET center in cytochrome c oxidase. (a) Gamelin, D. R.; Randall, D. W.; Hay, M. T.; Houser, R. P.; Mulder, T. C.; Canters, G. W.; Devries, S.; Tolman. W. B.; Lu, Y.; Solomon, E. I. J. Am. Chem. Soc. 1998, 120, 5246. (b) Solomon, E. I.; Randall, D. W.; Glaser, T. Coord. Chem. Rev. 2000, 200, in press.
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A ET center in cytochrome c oxidase. (a) Gamelin, D. R.; Randall, D. W.; Hay, M. T.; Houser, R. P.; Mulder, T. C.; Canters, G. W.; Devries, S.; Tolman. W. B.; Lu, Y.; Solomon, E. I. J. Am. Chem. Soc. 1998, 120, 5246. (b) Solomon, E. I.; Randall, D. W.; Glaser, T. Coord. Chem. Rev. 2000, 200, in press.
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2 ion) in the MMCT excited state.
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67
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0342564729
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In MV dimers with low-lying metal-to-ligand CT excited states additional superexchange pathways for intramolecular metal-metal ET may exist.
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0342999143
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For a L→ M CT transition in a monomer involving a doubly occupied ligand orbital and a singly occupied metal orbital the √2 in eq 17 disappears.
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2H bond length of 2.75 Å in which case the two minima of the surface connecting the initial and the final states in the reaction are isoenergetic. The proton reaction coordinate was defined by interpolating between the (partially) geometry optimized initial and final state models using DFT calculations. Thus, the proton coordinate correlates between the hydroperoxide-bound, oxo-bridged site and the peroxide-bound, hydroxide-bridged site. See ref 17 for further details.
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