Metal-coated fullerenes: electronic, geometrical and vibrational properties of C60M62 (M=Ti and V)
β Scribed by M.R Pederson; D.V Porezag; D.C Patton; Efthimios Kaxiras
- Book ID
- 108312840
- Publisher
- Elsevier Science
- Year
- 1999
- Tongue
- English
- Weight
- 579 KB
- Volume
- 303
- Category
- Article
- ISSN
- 0009-2614
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## Abstract This paper reports on several new optically active organometallic [60]fullerene complexes that contain a chiral (+)βDIOP or (β)βDIOP ligand [DIOP = 2,3β__O__,__Oβ²__βisopropylideneβ2,3βdihydroxyβ1,4βbis(diphenylphosphanyl)butane]. The Mo/W complexes __mer__β[(Ξ·^2^βC~60~)M(CO)~3~{(β)βDIOP
## Abstract An extensive study of the redox properties of metal nitride endohedral fullerenes (MNEFs) based on DFT computational calculations has been performed. The electronic structure of the singly oxidized and reduced MNEFs has been thoroughly analyzed and the first anodic and cathodic potentia