Large differences in secondary metal-arene interactions in the transition-metal dimers ArMMAr (Ar = terphenyl; M = Cr, Fe, or Co): implications for Cr-Cr quintuple bonding.

@article{Macchia2008LargeDI,
  title={Large differences in secondary metal-arene interactions in the transition-metal dimers ArMMAr (Ar = terphenyl; M = Cr, Fe, or Co): implications for Cr-Cr quintuple bonding.},
  author={G. La Macchia and L. Gagliardi and P. Power and M. Brynda},
  journal={Journal of the American Chemical Society},
  year={2008},
  volume={130 15},
  pages={
          5104-14
        }
}
Quantum mechanical calculations, using both CASPT2 and DFT methods, for the model systems (MeMMMe, PhMMPh, (MeMMMe)(C6H6)2, Ar(S)MMAr(S), Ar (#)MMAr(#); M = Cr, Fe, Co; Ar(S) = C6H4-2(C6H5), Ar(#) = C6H3-2,6(C6H3-2,6-Me2)2) are described. These studies were undertaken to provide a multireference description of the metal-metal bond in the simple dimers MeMMMe and PhMMPh (M = Cr, Fe, Co) and to determine the extent of secondary metal-arene interaction involving the flanking aryl rings of the… Expand
62 Citations
...
1
2
3
4
5
...

References

In AdVances in Chemical Physics: Ab Initio Methods in Quantum Chemistry-II
  • J. Chem. Phys
  • 2000