Geometric Complementarity in Assembly and Guest Recognition of a Bent Heteroleptic cis-[PdLL] Coordination Cage.

Due to the inherent difficulties in achieving a defined and exclusive formation of multicomponent assemblies against entropic predisposition, we present the rational assembly of a heteroleptic [PdLL] coordination cage achieved through the geometric complementarity of two carefully designed ligands,...

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Publicado en:Journal of the American Chemical Society Vol. 138; no. 41; pp. 13750 - 13756
Autores principales: Bloch, Witold M., Abe, Yoko, Holstein, Julian J., Wandtke, Claudia M., Dittrich, Birger, Clever, Guido H.
Formato: Artículo
Publicado: American Chemical Society 10/19/2016
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Acceso en línea:Ver este registro en EBSCOhost
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      dt: 10/19/2016
      vid: 138
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      pub: American Chemical Society
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        10.1021/jacs.6b08694
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        atl: Geometric Complementarity in Assembly and Guest Recognition of a Bent Heteroleptic cis-[PdLL] Coordination Cage.
      aug:
        au:
          Bloch, Witold M.
          Abe, Yoko
          Holstein, Julian J.
          Wandtke, Claudia M.
          Dittrich, Birger
          Clever, Guido H.
        affil:
          Faculty of Chemistry and Chemical Biology, TU Dortmund University, Otto-Hahn-Straße 6, 44227 Dortmund, Germany
          Institute for Inorganic Chemistry, Georg-August University Göttingen, Tammannstraße 4, 37077 Göttingen, Germany
          Institute for Inorganic Chemistry and Structural Chemistry, Heinrich-Heine University Düsseldorf, Universitätsstraße 1, 40225 Düsseldorf, Germany
      su:
        Palladium
        Biocomplexity
        Thermodynamics
        Biological systems
        Heteroleptic compounds
      sug:
        subj:
          Palladium
          Biocomplexity
          Thermodynamics
          Biological systems
          Heteroleptic compounds
      ab: Due to the inherent difficulties in achieving a defined and exclusive formation of multicomponent assemblies against entropic predisposition, we present the rational assembly of a heteroleptic [PdLL] coordination cage achieved through the geometric complementarity of two carefully designed ligands, L and L. With Pd(II) cations as rigid nodes, the pure distinctly angular components readily form homoleptic cages, a [PdL] strained helical assembly and a [PdL] box-like structure, both of which were characterized by X-ray analysis. Combined, however, the two ligands could be used to cleanly assemble a cis-[PdLL] cage with a bent architecture. The same self-sorted product was also obtained by a quantitative cage-to-cage transformation upon mixing of the two homoleptic cages revealing the [PdLL] assembly as the thermodynamic minimum. The structure of the heteroleptic cage was examined by ESI-MS, COSY, DOSY, and NOESY methods, the latter of which pointed toward a cis-conformation of ligands in the assembly. Indeed, DFT calculations revealed that the angular ligands and strict Pd(II) geometry strongly favor the cis-[PdLL] species. The robust nature of the cis-[PdLL] cage allowed us to probe the accessibility of its cavity, which could be utilized for shape recognition toward stereoisomeric guests. The ability to directly combine two different backbones in a controlled manner provides a powerful strategy for increasing complexity in the family of [PdL] cages and opens up possibilities of introducing multiple functionalities into a single self-assembled architecture.
      pubtype: Academic Journal
      doctype: Article
      src: R
    language: English
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          year: 2016
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