Polarization energy calculations of charge transfer states in the α-sexithiophene crystal

被引：16

作者：

Andrzejak, M ^{[1
]}

Petelenz, P ^{[1
]}

机构：

[1] Jagiellonian Univ, K Guminski Dept Theoret Chem, PL-30060 Krakow, Poland

来源：

SYNTHETIC METALS | 2000年 / 109卷 / 1-3期

关键词：

polarization energy; alpha-sexithiophene; charge transfer states;

D O I：

10.1016/S0379-6779(99)00204-0

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Polarization energy calculations have been performed for the low-temperature polymorph of the alpha-sexithiophene crystal by means of the Fourier transform method in the submolecule approximation. The sensitivity of the results to the changes of the dielectric tensor anisotropy has been tested, since this latter quantity is not known experimentally. Good stability of the results suggests that they may be used in the interpretation of experimental electroabsorption spectra. (C) 2000 Elsevier Science S.A. All rights reserved.

引用

页码：97 / 100

页数：4

共 38 条

[1]

ANDRZEJAK M, IN PRESS

[2]

Blinov L. M., 1992, Molecular Materials, V1, P183

[3] LOCATION OF CHARGE-TRANSFER STATES IN ALPHA-SEXITHIENYL DETERMINED BY THE ELECTROABSORPTION TECHNIQUE [J].

BLINOV, LM ;

PALTO, SP ;

RUANI, G ;

TALIANI, C ;

TEVOSOV, AA ;

YUDIN, SG ;

ZAMBONI, R .

CHEMICAL PHYSICS LETTERS, 1995, 232 (04) :401-406

[4]

BLINOV LM, 1972, FIZ TVERD TELA, V14, P2489

[5] EFFECTIVE MOLECULAR POLARIZABILITIES IN SOME AROMATIC HYDROCARBON CRYSTALS [J].

BOUNDS, PJ ;

MUNN, RW .

CHEMICAL PHYSICS, 1977, 24 (03) :343-353

[6] POLARIZATION ENERGY OF A LOCALIZED CHARGE IN A MOLECULAR-CRYSTAL .2. CHARGE-QUADRUPOLE ENERGY [J].

BOUNDS, PJ ;

MUNN, RW .

CHEMICAL PHYSICS, 1981, 59 (1-2) :41-45

[7] CALCULATION AND SPECTROSCOPIC ASSIGNMENT OF CHARGE-TRANSFER STATES IN SOLID ANTHRACENE, TETRACENE AND PENTACENE [J].

BOUNDS, PJ ;

SIEBRAND, W ;

EISENSTEIN, I ;

MUNN, RW ;

PETELENZ, P .

CHEMICAL PHYSICS, 1985, 95 (02) :197-212

[8] POLARIZATION ENERGY OF A LOCALIZED CHARGE IN A MOLECULAR-CRYSTAL [J].

BOUNDS, PJ ;

MUNN, RW .

CHEMICAL PHYSICS, 1979, 44 (01) :103-112

[9] POLARIZATION ENERGY OF A LOCALIZED CHARGE IN A MOLECULAR-CRYSTAL .3. SUB-MOLECULE TREATMENT [J].

BOUNDS, PJ ;

MUNN, RW .

CHEMICAL PHYSICS, 1981, 59 (1-2) :47-53

[10] CHARGE-TRANSFER EXCITONS IN ANTHRACENE-CRYSTALS - A THEORETICAL INVESTIGATION OF THEIR OPTICAL-ABSORPTION AND THERMAL-DISSOCIATION [J].

BOUNDS, PJ ;

PETELENZ, P ;

SIEBRAND, W .

CHEMICAL PHYSICS, 1981, 63 (03) :303-320

← 1 2 3 4 →