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Trinuclear clusters of early transition metals: Jahn-Teller distortions and electronic structure

✍ Scribed by Jiang, Yuansheng.; Tang, Aoqing.; Hoffmann, Roald.; Huang, Jinling.; Lu, Jiaxi.

Book ID
127053453
Publisher
American Chemical Society
Year
1985
Tongue
English
Weight
846 KB
Volume
4
Category
Article
ISSN
0276-7333

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The electronic structure and spectroscopy of C~-o is examined using the intermediate neglect of differential overlap (INDO) model. The ground state of the ion distorts from Ih symmetry to either Dsd, D3d or D2h symmetry. The present study reveals that the Dsd structure is the equilibrium structure w