Complete σ* intramolecular aromatic hydroxylation mechanism through O2 activation by a Schiff base macrocyclic dicopper(I) complex
2013 ◽
Vol 9
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pp. 585-593
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Keyword(s):
In this work we analyze the whole molecular mechanism for intramolecular aromatic hydroxylation through O2 activation by a Schiff hexaazamacrocyclic dicopper(I) complex, [CuI 2(bsH2m)]2+. Assisted by DFT calculations, we unravel the reaction pathway for the overall intramolecular aromatic hydroxylation, i.e., from the initial O2 reaction with the dicopper(I) species to first form a CuICuII-superoxo species, the subsequent reaction with the second CuI center to form a μ-η2:η2-peroxo-CuII 2 intermediate, the concerted peroxide O–O bond cleavage and C–O bond formation, followed finally by a proton transfer to an alpha aromatic carbon that immediately yields the product [CuII 2(bsH2m-O)(μ-OH)]2+.
1987 ◽
Vol 161
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pp. 87-96
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Keyword(s):
1989 ◽
pp. 167-171
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2005 ◽
Vol 70
(4)
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pp. 430-440
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Keyword(s):
Keyword(s):
2020 ◽
Vol 22
(9)
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pp. 5057-5069
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2003 ◽
Vol 369
(1-2)
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pp. 80-89
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Keyword(s):
Keyword(s):
2017 ◽
Vol 12
(19)
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pp. 2554-2557
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