| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5394448 | Computational and Theoretical Chemistry | 2012 | 5 Pages |
Abstract
⺠We model stable complexes of lithium and caesium atoms with the heptafulvene molecule. ⺠Almost 1e of charge is transferred from the metal atom into the heptafulvene ring. ⺠HOMA index shows substantial bond equalization of the ring. ⺠The dissociation energy of the caesium complex is much lower. ⺠EDA reveals more covalent character of the lithium complex.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Wojciech P. Oziminski, Tadeusz M. Krygowski,