Multiethynyl Corannulenes: Synthesis, Structure, and Properties.

Syntheses, crystal structures, ab initio density functional theory computations, and photophysical properties of 1,6-di-, 1,2,5,6-tetra-, and 1,3,5,7,9-pentaethynyl-substituted corannulenes (classes 3, 4, and 5, respectively) are reported. Classes 3 and 4 were prepared from the corresponding corannu...

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Publicado en:Journal of the American Chemical Society Vol. 130; no. 32; pp. 10729 - 10740
Autores principales: Yao-Ting Wu, Bandera, Davide, Maag, Roman, Linden, Anthony, Baldridge, Kim K., Siegel, Jay S.
Formato: Artículo
Publicado: American Chemical Society 8/13/2008
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Acceso en línea:Ver este registro en EBSCOhost
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        atl: Multiethynyl Corannulenes: Synthesis, Structure, and Properties.
      aug:
        au:
          Yao-Ting Wu
          Bandera, Davide
          Maag, Roman
          Linden, Anthony
          Baldridge, Kim K.
          Siegel, Jay S.
        affil:
          Institute of Organic Chemistry, University of Zurich, Winterthurerstrasse 190, CH-8057 Zurich, Switzerland
          Department of Chemistry, National Cheng-Kung University, No.1 Ta-Hsueh Road, Tainan, Taiwan
      su:
        Hydrogen-ion concentration
        Density functionals
        Crystals
        Asymmetric synthesis
        Chemical reactions
      sug:
        subj:
          Hydrogen-ion concentration
          Density functionals
          Crystals
          Asymmetric synthesis
          Chemical reactions
      ab: Syntheses, crystal structures, ab initio density functional theory computations, and photophysical properties of 1,6-di-, 1,2,5,6-tetra-, and 1,3,5,7,9-pentaethynyl-substituted corannulenes (classes 3, 4, and 5, respectively) are reported. Classes 3 and 4 were prepared from the corresponding corannulenyl bromides and terminal alkynes in excellent yields (nine examples, with yields of 57-92%) using the Sonogarshira reaction. Class 5 was prepared from 1,3,5,7,9-pentacholorocorannulene and trimethylalkynylstannanes using a modification of Nolan's procedure (8 examples, with yields of 45-93%). The molecular packing in crystals of 1,6-diphenylethynyl-2,5-dimethylcorannulene (3-Ph) displays a polar columnar structure with all of the molecule bowls oriented in the same direction. Similarly, 1,2,5,6-tetrakis(3,5-dimethylphenylethynyl)corannulene [4-Ar(c)] and 1,3,5,7,9-pentakis(3,5-dimethylphenylethynyl)corannulene [5-Ar(c)] form columnar structures, but the bowls are oriented in opposing directions. Additionally, the number of attached alkynyl arms is correlated with an increase in bowl depth of the corrannulene nucleus. Most of the aryl derivatives displayed high-quantum-efficiency solution luminescence and variable emission wavelengths that were dependent on the nature of the substitution.
      pubtype: Academic Journal
      doctype: Article
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    language: English
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