title: Peculiar transformation of a nonaromatic Al(4)Cl(4)(NH(3))(4) into an aromatic Na(2)Al(4)Cl(4)(NH(3))(4).
abstract: We analyzed the molecular orbitals for a Al(4)Cl(4)(NH(3))(4) compound, which is a model of the (AlBr x NEt(3))(4) crystal structure recently reported by Schnöckel and co-workers. We found that even though Al(4)Cl(4)(NH(3))(4) contains a planar square Al(4) cluster it is not an aromatic compound. However, the addition of two sodium atoms to Al(4)Cl(4)(NH(3))(4) yields a new Na(2)Al(4)Cl(4)(NH(3))(4) compound which is a pi-aromatic molecule. We hope that prediction of this new compound will facilitate a synthesis of aluminum aromatic solids.
authors.affiliation: Department of Chemistry and Biochemistry, Utah State University, Logan, Utah 84322, USA.
authors.forename: Aleksey E
authors.initials: AE
authors.lastname: Kuznetsov
authors.forename: Alexander I
authors.initials: AI
authors.lastname: Boldyrev