A helicoid ferrocene

Inorg Chem. 2009 Apr 6;48(7):2714-6. doi: 10.1021/ic8024638.

Abstract

Here, we address the problem of stabilizing a new helicoid ferrocene. Of course, to obtain a helical complex, it is essential to design suitable organic ligands. The ligands should possess the correct symmetry to match the geometrical requirement of the metal center. We propose in silico a beautiful helix that consists of one polycyclic hydrocarbon composed of 10 fused cyclopentadiene rings bound on opposite sides of an iron atom. The nature of the metal-ligand interactions between Fe(2+) and the ligand was investigated with energy decomposition analysis. Our results provide strong evidence for the viability of the hitherto unknown helicoid ferrocene as a target for synthesis.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Ferrous Compounds / chemical synthesis
  • Ferrous Compounds / chemistry*
  • Ligands
  • Metallocenes
  • Models, Molecular
  • Polycyclic Compounds / chemistry

Substances

  • Ferrous Compounds
  • Ligands
  • Metallocenes
  • Polycyclic Compounds
  • ferrocene