Tetraarylcyclobutadienecyclopentadienylcobalt Complexes: Synthesis, Electronic Spectra, Magnetic Circular Dichroism, Linear Dichroism, and TD DFT Calculations

Gregg S. Kottas, Thierry Brotin, Peter F. H. Schwab, Kamal Gala, Zdenek Havlas, James P. Kirby, John R. Miller, and Josef Michl

Organometallics 33, 3251-3264 (2014).

[Find paper at ACS Publications]

Abstract:

The known (tetraphenyl-eta₄-cyclobutadiene)-eta₅-cyclopentadienylcobalt (1) and a series of its new substituted derivatives have been prepared. The electronic states of a few representatives have been characterized by absorption and magnetic circular dichroism. Time-dependent density functional theory has been used to arrive at spectral assignments for several prominent low-energy bands. The absorption spectra of the radical ions of 1 have also been recorded.