Theoretical predictions of cofacial bis(actinyl) complexes of a stretched Schiff-base calixpyrrole ligand

Qing-Jiang Pan, Georg Schreckenbach, Polly L. Arnold, Jason B. Love

Research output: Contribution to journalArticlepeer-review

Abstract

Actinyl and actinyl-transition metal complexation by a polypyrrolic macrocycle with anthracenyl linkers between the N4-donor compartments was evaluated using relativistic density functional theory which predicts that a highly unusual cofacial bis-actinyl structure complex is stable.

Original languageEnglish
Pages (from-to)5720-5722
Number of pages3
JournalChemical Communications
Volume47
Issue number20
DOIs
Publication statusPublished - 28 May 2011

Keywords

  • CATION-CATION INTERACTIONS
  • PENTAVALENT-URANYL
  • COORDINATION
  • REDUCTION
  • MOLECULES
  • CHEMISTRY
  • ION

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