All‐Nitrogen Analogue of Ozone: Li3N3 Species |
| |
| Authors: | Prof. Dr. Jared K. Olson Alexander S. Ivanov Prof. Dr. Alexander I. Boldyrev |
| |
| Affiliation: | Department of Chemistry and Biochemistry, Utah State University, Logan, UT 84322 (USA), Fax: (+1)?435‐797‐3390 |
| |
| 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 N33? molecular motif possess structural and chemical bonding features similar to that of O3 molecules and can thus be considered as an “all‐nitrogen ozone”. |
| |
| Keywords: | ab initio calculations azenides clusters lithium nitrogen polyanions |
|
