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33746204271
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note
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a signal is observed because the exchange occurs between the protons of the alcohol groups.
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22
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33746232146
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note
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Calculations were performed with the ADF program using the BP86 functional combined with a DZP basis set for C, N, O, and H, and a TZP basis set for Cu. See Supporting Information for further details.
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23
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33746232145
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note
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3CN molecule, and formation of a coordination polymer (these results will be published elsewhere).
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24
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33746247949
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note
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1H NMR spectroscopy), which gives support to the formation of a transient aryl copper(III) hydride.
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27
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33746232144
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note
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1H NMR signals (probably partial decomplexation and oligomerization due to protonation of the amine moiety).
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28
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17444363026
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The direct coordination of acetone to a metal center has been reported, along with the description of the keto-enol equilibrium; see: M. A. Henderson, Langmuir 2005, 21, 3451-3458;
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Henderson, M.A.1
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9644289253
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Hitchcock, P.B.7
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30
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33746204267
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note
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DFT calculations failed to locate the postulated hydride intermediate B. We are currently investigating the possibility of a solvent-assisted stabilization of this intermediate species.
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31
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