Faraday communications. Bonding in Ti8C12and the substitutional jahn–teller effect
- 1 January 1992
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Faraday Transactions
- Vol. 88 (18) , 2797-2798
- https://doi.org/10.1039/ft9928802797
Abstract
Qualitative reasoning based on the Hückel 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 (Th) cage but for a trigonal (D3d) alternative.Keywords
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