First examples of stable transition metal complexes of an all-metal antiaromatic molecule (Al$_4$Li$_4$)
| dc.creator | Datta, Ayan | |
| dc.creator | Pati, Swapan K | |
| dc.date | 2004-09-20 | |
| dc.date.accessioned | 2026-07-07T03:00:55Z | |
| dc.date.available | 2026-07-07T03:00:55Z | |
| dc.description | 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}$Ni] and make a comparison between the all-metal species and the organometallic compounds to prove conclusively our theory. Fragmentation energy analysis as well as NICS support similar mechanism of complexation induced stability in these all-metal molecules. | |
| dc.identifier | https://arxiv.org/abs/cond-mat/0409508 | |
| dc.identifier | http://arxiv.org/abs/cond-mat/0409508 | |
| dc.identifier.uri | http://salesiana.dossiersoluciones.com/handle/123456789/24902 | |
| dc.subject | Strongly Correlated Electrons | |
| dc.subject | Materials Science | |
| dc.title | First examples of stable transition metal complexes of an all-metal antiaromatic molecule (Al$_4$Li$_4$) | |
| dc.type | text |