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E.","year":"1993","journal-title":"J. Chem. Soc., Perkin Trans. 2"},{"key":"ref54\/cit54d","unstructured":"dSolution BDFEs are also discussed in ref66."},{"key":"ref55\/cit55","doi-asserted-by":"crossref","first-page":"11190","DOI":"10.1021\/ic7015726","volume":"46","author":"Wu A.","year":"2007","journal-title":"Inorg. Chem."},{"key":"ref56\/cit56a","unstructured":"aIn similar oxidations by metal coordination complexes, we have found that the production of anthrone or xanthone depends on the rate of trapping of the benzylic radical.(-27, 28, 56b, 56c)This trapping may be slow due to the low oxidizing power of the vanadium(VI)\u2212hydroxide species (discouraging radical rebound), and due to the high intrinsic barrier to oxidation in this system. With slow trapping of R\u2022, the reactions proceed to form anthracene or bixanthenyl."},{"key":"ref56\/cit56b","doi-asserted-by":"crossref","first-page":"10112","DOI":"10.1021\/ja020204a","volume":"124","author":"Larsen A. 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The MPW1K calculations gave values about 10 kcal mol\u22121higher for the vanadium complex and 7\u22128 kcal mol\u22121higher for the ruthenium complexes. The barrier heights computed with MPW1K were higher than B3LYP values by 12.8 kcal mol\u22121for VO2\/V(O)OH and by 11.6 and 10.4 kcal mol\u22121for RuO(pyrr)\/Ru(OH)(pyrr) and RuO(F)\/Ru(OH)(F), respectively. Probably through a fortuitous cancellation of errors, the B3LYP barrier heights are in much better agreement with experiment than are the MPW1K barrier heights."},{"key":"ref89\/cit89b","doi-asserted-by":"crossref","first-page":"4811","DOI":"10.1021\/jp000497z","volume":"104","author":"Lynch B. J.","year":"2000","journal-title":"J. Phys. Chem. A"},{"key":"ref90\/cit90a","doi-asserted-by":"crossref","first-page":"6214","DOI":"10.1021\/om049403o","volume":"23","author":"Man M. 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