Mesoscopic disorder in thin film spectra: absorption spectroscopy of sexithiophene

被引:6
作者
Andrzejak, M [1 ]
Petelenz, P [1 ]
机构
[1] Jagiellonian Univ, K Guminski Dept Theoret Chem, PL-30060 Krakow, Poland
关键词
D O I
10.1016/S0009-2614(00)01316-6
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
In order to simulate disorder effects in thin films, model calculations of the absorption spectrum are performed for a statistical ensemble of differently oriented sexithiophene microcrystals. The assumed distribution of crystallite orientations is based on available experimental data. The directional dependence of the non-analytic part of dipole lattice sums is identified as the leading broadening mechanism; other contributions to broadening are also discussed. (C) 2000 Elsevier Science B.V. All rights reserved.
引用
收藏
页码:435 / 441
页数:7
相关论文
共 33 条
[1]   Quantum chemical results as input for solid state calculations: charge transfer states in molecular crystals [J].
Andrzejak, M ;
Mazur, G ;
Petelenz, P .
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2000, 527 :91-102
[2]   Polarization energy calculations of charge transfer states in the α-sexithiophene crystal [J].
Andrzejak, M ;
Petelenz, P .
SYNTHETIC METALS, 2000, 109 (1-3) :97-100
[3]  
ANDRZEJAK M, IN PRESS J CHEM PHYS
[4]   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
[5]  
Born M., 1954, DYNAMICAL THEORY CRY
[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]   POLARIZATION ENERGY OF A LOCALIZED CHARGE IN A MOLECULAR-CRYSTAL [J].
BOUNDS, PJ ;
MUNN, RW .
CHEMICAL PHYSICS, 1979, 44 (01) :103-112
[8]   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
[9]   ANISOTROPY OF SINGLET TRANSITIONS OF CRYSTALLINE ANTHRACENE [J].
CLARK, LB ;
PHILPOTT, MR .
JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (10) :3790-&
[10]   Theoretical studies and spectroscopic investigations of ground and excited electronic states of thiophene oligomers [J].
Colditz, R ;
Grebner, D ;
Helbig, M ;
Rentsch, S .
CHEMICAL PHYSICS, 1995, 201 (2-3) :309-320