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26
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25844456112
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note
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When a THF solution of TrisOH was diluted in 2-methyl-THF (to form a glassing solution), a different MCD spectrum than the solid-state mull spectrum was obtained. To directly correlate with the crystal structure, only the mull spectra are presented in this article.
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30
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84962440962
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Szilagyi, R. K.; Metz, M.; Solomon, E. I. J. Phys. Chem. A 2002, 106, 2994-3007.
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Szilagyi, R.K.1
Metz, M.2
Solomon, E.I.3
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31
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25844435406
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note
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x,y-orbitals along the O-H bonds) MOs in the broken-symmetry state are given in Figures S4 and S5.
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32
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25844468436
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note
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3OH.
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34
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25844484741
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note
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--ligands to the hole on either of the two adjacent Cu-atoms, resulting in 48 microstates. Transitions to remote Cu are not considered as these will not have significant CT intensity.
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35
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25844431814
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note
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II CT transitions.
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36
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33847802449
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Hay, P. J.; Thibeault, J. C.; Hoffmann, R. J. Am. Chem. Soc. 1975, 97, 4884-4899.
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Hay, P.J.1
Thibeault, J.C.2
Hoffmann, R.3
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37
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0032479015
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Gamelin, D. R.; Randall, D. W.; Hay, M. T.; Houser, R. P.; Mulder, T. C.; Canters, G. W.; de Vries, S.; Tolman, W. B.; Lu, Y.; Solomon, E. I. J. Am. Chem. Soc. 1998, 120, 5246-5263.
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Canters, G.W.6
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Lu, Y.9
Solomon, E.I.10
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40
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0034809080
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Lehnert, N.; Ho, R. Y. N.; Que, L., Jr.; Solomon, E. I. J. Am. Chem. Soc. 2001, 123, 8271-8290.
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42
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25844451773
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note
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σ MO.
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43
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25844496341
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note
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3O) and, therefore, would have larger contribution in the splittings of the CT states.
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44
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0000466794
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Gebhard, M. S.; Deaton, J. C.; Koch, S. A.; Millar, M.; Solomon, E. I. J. Am. Chem. Soc. 1990, 112, 2217-2231.
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45
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0004024194
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MIT Press: Cambridge, MA
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Koster, G. F.; Dimmock, J. O.; Wheeler, R. G.; Statz, H. Properties of the Thirty-Two Point Groups; MIT Press: Cambridge, MA, 1963.
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(1963)
Properties of the Thirty-Two Point Groups
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Koster, G.F.1
Dimmock, J.O.2
Wheeler, R.G.3
Statz, H.4
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46
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25844493833
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note
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II CT transitions, the MCD mechanisms of bands 6 and 9 were not analyzed.
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47
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25844489626
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in press
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Quintanar, L.; Yoon, J.; Aznar, C. P.; Palmer, A. E.; Andersson, K.; Britt, R. D.; Solomon, E. I. J. Am. Chem. Soc. 2005, in press.
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48
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23844550273
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Rulišek, L.; Solomon, E. I.; Ryde, U. Inorg. Chem. 2005, 44, 5612-5628.
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Rulišek, L.1
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50
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0030567363
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Shin, W.; Sundaram, U. M.; Cole, J. L.; Zhang, H. H.; Hedman, B.; Hodgson, K. O.; Solomon, E. I. J. Am. Chem. Soc. 1996, 118, 3202-3215.
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51
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0034808304
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25844481149
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private communication
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Lindley, P. F., private communication.
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Lindley, P.F.1
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(a) Brändén, R.; Deinum, J.; Coleman, M. FEBS Lett. 1978, 89, 180-182.
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