Title: Bonding in ti8c12 and the substitutional jahn-teller effect
Authors: Ceulemans, Arnout ×
Fowler, Pw #
Issue Date: Jan-1992
Publisher: Royal soc chemistry
Series Title: Journal of the chemical society-faraday transactions vol:88 issue:18 pages:2797-2798
Abstract: Qualitative reasoning based on the Huckel model and symmetry aspects of Jahn-Teller instabilities leads to two plausible structures for the recently reported Ti8C12 cluster, with full pairing of electron spins occurring not for the tetrahedral (T(h)) cage but for a trigonal (D3d) alternative.
ISSN: 0956-5000
Publication status: published
KU Leuven publication type: IT
Appears in Collections:Quantum Chemistry and Physical Chemistry Section
× corresponding author
# (joint) last author

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