title: All-nitrogen analogue of ozone: Li₃N₃ species.
abstract: A theoretical study of ozone isoelectronic Li3N3 species has been performed. Ab initio electronic structure calculations prove the viability of the ozone-like Li3N3 molecule that might become synthesized. The predicted Li3N3 species with a novel N3(3-) molecular motif possess structural and chemical bonding features similar to that of O3 molecules and can thus be considered as an "all-nitrogen ozone".
authors.affiliation: Department of Chemistry and Biochemistry, Utah State University, Logan, UT 84322 (USA), Fax: (+1) 435-797-3390.
authors.forename: Jared K
authors.initials: JK
authors.lastname: Olson
authors.forename: Alexander S
authors.initials: AS
authors.lastname: Ivanov
authors.forename: Alexander I
authors.initials: AI
authors.lastname: Boldyrev
keywords: ab initio calculations; azenides; clusters; lithium; nitrogen; polyanions