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How the Bonding Mode in Cyclopentadienylaluminum Complexes Influences the Cp– Ligand Aromaticity

Zachara J., Madura I., Kunicki A.

Polish Journal of Chemistry

2007

Vol. 81, nr 5-6

745-755

The substantial influence of floating Cp–Al bond-modes from ni 5(pi) to ni 1(omega) on the Cp– ligand’s aromaticity was discussed basing on the crystal data of organoaluminum complexes and DFT calculations (B3LYP/6-311G**) performed for model compounds. The aromaticity of cyclopentadienyl moiety was characterized by the HOMA index. The spread of HOMA values from 0.8 to –0.5 indicated the electronic structure of the cyclopentadienyl ligand bonded to aluminum center can be regarded as an intermediate between the highly aromatic, uncomplexed cyclopentadienyl anion Cp– and the antiaromatic structure of cyclopentadiene CpH.

Alkoxymethylaluminum Complex with Cyclopentadienyl Ligand-Synthesis and Characterization

Szumacher S., Leszczyńska K., Kunicki A., Madura I., Zachara J.

Polish Journal of Chemistry

2005

Vol. 79 / nr 11

1773-1779

A series of novel aluminum alkoxide derivatives, [Cp(Me)Al-m-OR]2, (where R = Me 1,Et 2, iBu 3, tBuCH2 4, iPr 5, tBu 6) has been prepared by reacting Me(Cl)AlOR with CpNa. All the compounds were characterized by multinuclear NMR, elemental analysis and molecular weight determinaion cryoscopically in benzene.