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Volumn 50, Issue 12, 2011, Pages 2725-2728

Crystal structures and electronic properties of saddle-distorted and protonated phthalocyanines

Author keywords

acid base equilibrium; electronic structure; phthalocyanines; protonation; structure elucidation

Indexed keywords

ACID-BASE EQUILIBRIA; CRYSTAL STRUCTURE DETERMINATION; FREE BASE; NITROGEN ATOM; PHTHALOCYANINES; PROTONATED; STRUCTURE ELUCIDATION; ZINC COMPLEX;

EID: 79952504417     PISSN: 14337851     EISSN: 15213773     Source Type: Journal    
DOI: 10.1002/anie.201006607     Document Type: Article
Times cited : (50)

References (35)
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    • (2003) The Porphyrin Handbook, Vols. 15-20
  • 20
    • 79952519513 scopus 로고    scopus 로고
    • w=0.1735 (I>2σ(I))
    • w=0.1735 (I>2σ(I))
  • 21
    • 79952527675 scopus 로고    scopus 로고
    • 2Zn) contain the supplementary crystallographic data for this paper. These data can be obtained free of charge from The Cambridge Crystallographic Data Centre via.
    • 2Zn) contain the supplementary crystallographic data for this paper. These data can be obtained free of charge from The Cambridge Crystallographic Data Centre via.
  • 22
    • 79952502778 scopus 로고    scopus 로고
    • ΔRMS values of unprotonated phthalocyanines were calculated using the crystal structure reported in Ref. [7]
    • ΔRMS values of unprotonated phthalocyanines were calculated using the crystal structure reported in Ref. [7].
  • 23
    • 79952491116 scopus 로고    scopus 로고
    • 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.
    • 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.
  • 26
    • 79952513593 scopus 로고    scopus 로고
    • 2 solution is consistent with the fact that the anion-bound complex is more stable in less polar solvents.
    • 2 solution is consistent with the fact that the anion-bound complex is more stable in less polar solvents.
  • 27
    • 79952492438 scopus 로고    scopus 로고
    • 8Pc]Br.
    • 8Pc]Br.
  • 28
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    • [16]
    • 2 and is consistent with the observed Q-band wavelengths.
  • 29
    • 0002312013 scopus 로고
    • in (Ed.: D. Dolphin), Vol. III, Part A, Academic Press, New York, pp. .
    • M. Gouterman, in The Porphyrins (Ed.:, D. Dolphin,), Vol. III, Part A, Academic Press, New York, 1978, pp. 1-165.
    • (1978) The Porphyrins , pp. 1-165
    • Gouterman, M.1
  • 35
    • 79952506971 scopus 로고    scopus 로고
    • Gaussian 09, Revision A.1, M. J. Frisch, et al. Gaussian, Inc., Wallingford CT, 2009. The full reference is given in Supporting Information.
    • Gaussian 09, Revision A.1, M. J. Frisch, et al. Gaussian, Inc., Wallingford CT, 2009. The full reference is given in Supporting Information.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.