Investigation of the electronic structure of the TCNQ-TTF system. I. TCNQ and TTF monomers and dimers in the all-valence-electron approximation
โ Scribed by J. Ladik; A. Karpfen; G. Stollhoff; P. Fulde
- Publisher
- Elsevier Science
- Year
- 1975
- Tongue
- English
- Weight
- 695 KB
- Volume
- 7
- Category
- Article
- ISSN
- 0301-0104
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๐ SIMILAR VOLUMES
We have computed the energy band structures of the infmite poly(TCNQ), poly(TCNQ\*\_), poIy(ITF) and polyUTF2f) chains using the CNDO/Z and where possible tbe MNDO/Z crystal orbital approximation schemes. The retits show E broad conr',uction band for poljj(TCNQ) and a broad valence band for poly(l'T
Since the discovery [1] of the first organic metal in 1973, much attention has been devoted to the investigation of TTF, its derivatives, and analogues as electron-donor components for many charge-transfer (CT) complexes and ion-radical salts. [2] A proposed model of a unimolecular rectifier [3] inv