BAND-STRUCTURE OF POLY(PERINAPHTHALENE)

被引：15

作者：

TYUTYULKOV, N

TADJER, A

MINTCHEVA, I

机构：

[1] Bulgarian Academy of Sciences, Institute of Organic Chemistry

来源：

SYNTHETIC METALS | 1990年 / 38卷 / 03期

关键词：

D O I：

10.1016/0379-6779(90)90084-X

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

A theoretical study of the band structure of poly(perinapthalene), a one-dimensional system meeting the Born-Karmann condition, is given. It is shown that two factors, a geometrical (Δgeom) and a correlational one (Δcorr), contribute to the energy gap (ΔE∞) according to the relation ΔE∞ = [Δgeom2 + Δcorr2 1 2 = 1.2 eV. The result obtained is in good agreement with the experimental evaluation of ΔE∞ = 1.3 eV obtained by means of extrapolation of the experimental data reported by Müllen et al. (Angew. Chem., in press). © 1990.

引用

页码：313 / 317

页数：5

共 18 条

[1]

Abramowitz M, 1970, HDB MATH FUNCTIONS, P18

[2] ON THE OBSERVED HIGH CONDUCTIVITY OF POLY-(PERINAPHTHALENE) CHAINS [J].