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Predicted Group 4 Tetra-azides M(N3)4 (M = Ti-Hf, Th): The First Examples of Linear M-NNN Coordination

Published inInorganic chemistry, vol. 42, no. 9, p. 3074-3078
Publication date2003
Abstract

Quantum chemical calculations suggest that group 4 tetra-azides M(N[3])[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 η[5]-N[5] −M−η[7]-N[7], and the Th species, Th(N[3])[4], is the most stable of all. Possible mixed nitride azides NMN[3] were also investigated.

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GAGLIARDI, Laura, PYYKKÖ, Pekka. Predicted Group 4 Tetra-azides M(N3)4 (M = Ti-Hf, Th): The First Examples of Linear M-NNN Coordination. In: Inorganic chemistry, 2003, vol. 42, n° 9, p. 3074–3078. doi: 10.1021/ic034122e
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Creation10/06/2009 11:59:01 AM
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