Metallocenyl methylium cations, radicals, and anions have been shown to exhibit unique geometrical properties depending on the oxidation state. Several compounds (n = 3-5, above - with metals chosen to maintain an 18 electron complex) were computed at the B3LYP/6-311+G(df,p) level of theory and were compared to the boron isolobal analogs. We found that some boron analogs were better at stabilizing anions through delocalization into the sigma framework of the ring structures. Cations, radicals, and some anions were found to be better stabilized by the carbon metallocenes.
Gribanova, T. N.; Starikov, A. G.; Minyaev, R. M.; Minkin, V. I.; Siebert, M. R. and Tantillo, D. J. Chem. Eur. J., in press. “Sandwich Compounds of Transition Metals with Cyclopolyenes and Isolobal Boron Analogues.”