Abstract
Quantum chemical calculations suggest that group 4 tetra-azides M(N3)4, where M = Ti, Zr, Hf, and Th, are stable species. They present a unique structural feature; namely, the M-N-N-N fragments are linear. These species are energetically more stable than the corresponding isomers with general formula η5-N5-M-η7-N7, and the Th species, Th(N3)4, is the most stable of all. Possible mixed nitride azides NMN3 were also investigated.
Original language | English (US) |
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Pages (from-to) | 3074-3078 |
Number of pages | 5 |
Journal | Inorganic chemistry |
Volume | 42 |
Issue number | 9 |
DOIs | |
State | Published - May 5 2003 |