Valence and conduction band of poly

Table 8 Valence and conduction bands of poly(TCNQ) and poly(TTF) and their widths (in eV). For comparison the Table contains also the locations of the corresponding MOs... 

Table 2.5 presents the positions and widths of the valence and conduction bands of poly(TNCQ) and poly(TTF) obtained with the help of the above-described procedure. The most striking result in the table, as in the case of the previous semiempirical band-structure calculations,< > is that the valence band of poly(TTF) [from which the charge transfer (CT) occurs] is comparatively broad ( 0.3 eV) and the conduction band of poly(TCNQ) (to which the charge is transferred) is broad ( 1.2 eV), while both the valence band of poly(TCNQ) and the conduction band of poly(TTF) (which do not take part in the Cl process) have widths less than 0.1 eV. One should also note that the positions of the conduction band of poly(TCNQ) and the valence band of poly(TTF), respectively. 

TABLE 2.5. Valence and Conduction Bands of Poly(TCNQ) and Poly(TTF) and Their... 

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