Chemical Physics Letters, volume 358, issue 5-6, pages 531-536
N6 ring as a planar hexagonal ligand in novel M(η6-N6) species
Publication type: Journal Article
Publication date: 2002-06-01
Journal:
Chemical Physics Letters
Quartile SCImago
Q2
Quartile WOS
Q2
Impact factor: 2.8
ISSN: 00092614
Physical and Theoretical Chemistry
General Physics and Astronomy
Abstract
The possibility of stabilizing the N6 species as a planar hexagonal ring in M(η6-N6) (M=Ti, Zr, Hf, Th) systems was studied theoretically. The M(η6-N6) systems were found to have minima at C6v geometry, which corresponds to an η6 complex of a metal with planar N6 ring. They lie approximately 70–130 kcal/mol above the energy of a metal atom and three N2 molecules and substantially below the energy of any naked N6 isomer. The stabilization of the planar N6 is attributed to the interaction of the ring π system with the metal d and f orbitals. A five-fold bond is observed between the N6 ring and a metal. At the ionic limit, the systems can be regarded as complexes of an M4+ cation and an N64− ligand. Further planar aromatic Nnq (n=3–8) rings are briefly discussed. Of them, the π-electron-rich anions could be a viable ηn ligands in transition metal complexes.
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- We do not take into account publications without a DOI.
- Statistics recalculated only for publications connected to researchers, organizations and labs registered on the platform.
- Statistics recalculated weekly.
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Straka M. N6 ring as a planar hexagonal ligand in novel M(η6-N6) species // Chemical Physics Letters. 2002. Vol. 358. No. 5-6. pp. 531-536.
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Straka M. N6 ring as a planar hexagonal ligand in novel M(η6-N6) species // Chemical Physics Letters. 2002. Vol. 358. No. 5-6. pp. 531-536.
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TY - JOUR
DO - 10.1016/S0009-2614(02)00665-6
UR - https://doi.org/10.1016/S0009-2614(02)00665-6
TI - N6 ring as a planar hexagonal ligand in novel M(η6-N6) species
T2 - Chemical Physics Letters
AU - Straka, M.
PY - 2002
DA - 2002/06/01 00:00:00
PB - Elsevier
SP - 531-536
IS - 5-6
VL - 358
SN - 0009-2614
ER -
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@article{2002_Straka,
author = {M. Straka},
title = {N6 ring as a planar hexagonal ligand in novel M(η6-N6) species},
journal = {Chemical Physics Letters},
year = {2002},
volume = {358},
publisher = {Elsevier},
month = {jun},
url = {https://doi.org/10.1016/S0009-2614(02)00665-6},
number = {5-6},
pages = {531--536},
doi = {10.1016/S0009-2614(02)00665-6}
}
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Straka, M.. “N6 ring as a planar hexagonal ligand in novel M(η6-N6) species.” Chemical Physics Letters, vol. 358, no. 5-6, Jun. 2002, pp. 531-536. https://doi.org/10.1016/S0009-2614(02)00665-6.