First examples of stable transition metal complexes of an all-metal antiaromatic molecule (Al$_4$Li$_4$)

Ayan Datta; Swapan K Pati

paper

First examples of stable transition metal complexes of an all-metal antiaromatic molecule (Al $_{4}$ Li $_{4}$ )

arXiv:cond-mat/0409508

Abstract

We propose new methodologies for stabilizing all-metal antiaromatic clusters like: Al $_{4}$ Li $_{4}$ . We demonstrate that these all-metal species can be stabilized by complexation with 3d-transition metals very similar to its organic counterpart, C $_{4}$ H $_{4}$ . Complexation to transition metal ions reduce the frontier orbital energies and introduces aromaticity. We consider a series of such complexes [ $η$ $^{4}$ (Al $_{4}$ Li $_{4}$ )-Fe(CO) $_{3}$ , $η$ $^{2}$ $σ$ $^{2}$ (Al $_{4}$ Li $_{4}$ )-Ni and (Al $_{4}$ Li $_{4}$ ) $_{2}$ Ni] and make a comparison between the all-metal species and the organometallic compounds to prove conclusively our theory. Fragmentation energy analysis as well as NICS support similar mechanism of complexation induced stability in these all-metal molecules.

First examples of stable transition metal complexes of an all-metal antiaromatic molecule (Al4​Li4​)

Abstract

First examples of stable transition metal complexes of an all-metal antiaromatic molecule (Al $_{4}$ Li $_{4}$ )