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79952519513
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w=0.1735 (I>2σ(I))
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w=0.1735 (I>2σ(I))
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21
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79952527675
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2Zn) contain the supplementary crystallographic data for this paper. These data can be obtained free of charge from The Cambridge Crystallographic Data Centre via.
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2Zn) contain the supplementary crystallographic data for this paper. These data can be obtained free of charge from The Cambridge Crystallographic Data Centre via.
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22
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79952502778
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ΔRMS values of unprotonated phthalocyanines were calculated using the crystal structure reported in Ref. [7]
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ΔRMS values of unprotonated phthalocyanines were calculated using the crystal structure reported in Ref. [7].
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23
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79952491116
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We could not determine the exact position of the additional proton, since the C-N bonds and the C-N-C angles are virtually the same (1.33-1.34 Å and 123-124°, respectively), and we concluded that one proton is disordered over the four meso-nitrogen atoms.
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We could not determine the exact position of the additional proton, since the C-N bonds and the C-N-C angles are virtually the same (1.33-1.34 Å and 123-124°, respectively), and we concluded that one proton is disordered over the four meso-nitrogen atoms.
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26
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79952513593
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2 solution is consistent with the fact that the anion-bound complex is more stable in less polar solvents.
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2 solution is consistent with the fact that the anion-bound complex is more stable in less polar solvents.
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27
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79952492438
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8Pc]Br.
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8Pc]Br.
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28
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79952523235
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[16]
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2 and is consistent with the observed Q-band wavelengths.
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29
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0002312013
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in (Ed.: D. Dolphin), Vol. III, Part A, Academic Press, New York, pp. .
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M. Gouterman, in The Porphyrins (Ed.:, D. Dolphin,), Vol. III, Part A, Academic Press, New York, 1978, pp. 1-165.
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The Porphyrins
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33846580125
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J. Mack, M. J. Stillman, N. Kobayashi, Coord. Chem. Rev. 2007, 251, 429
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MacK, J.1
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79952506971
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Gaussian 09, Revision A.1, M. J. Frisch, et al. Gaussian, Inc., Wallingford CT, 2009. The full reference is given in Supporting Information.
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Gaussian 09, Revision A.1, M. J. Frisch, et al. Gaussian, Inc., Wallingford CT, 2009. The full reference is given in Supporting Information.
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