Electronic structures of multi-decker transition metal sandwich complexes
β Scribed by Li Qian-shu; Yu Heng-tai; Tang Au-chin
- Publisher
- Springer
- Year
- 1986
- Tongue
- English
- Weight
- 420 KB
- Volume
- 70
- Category
- Article
- ISSN
- 1432-2234
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## Abstract DFT and hybrid HFβDFT studies of structure and bonding of CpMP~6~MCp tripleβdecker sandwich complexes, ranging from 18β28 valence electrons (VE) with M = Sc, Y, Ti, Zr, Hf, V, Nb, Ta, Cr, Mo, and W, show that the middle P~6~ ring complexes adopt symmetric planar (28 valence electron cou
The electronic structure of some transition metal complex-based molecular solids is analyzed in order to discuss why the use of transition metal complexes can provide interesting new low-dimensional molecular conductors. The molecular solids considered include several charge transfer salts of both M