Electronic excitations in stacked oligothiophenes

M. Yurtsever; E. Yurtsever

doi:10.1016/S0379-6779(00)00968-1

Electronic excitations in stacked oligothiophenes

M. Yurtsever^*, E. Yurtsever

^*Corresponding author for this work

Department of Chemistry

Koc University

Research output: Contribution to journal › Article › peer-review

1 Citation (Scopus)

Abstract

Electronic spectroscopy of oligothiophenes is studied using the semi-empirical ZINDO methodology. Geometry of the neutral, and doubly charged bipolaronic forms of oligomers from 3T to 8T are optimized. Their coordinates are then used to generate various stacked structures up to tetramers. The effects of the length of the chains, number of layers in stacks, stacking distance between chains, deviation from planarity and number and relative positions of bipolaronic forms on the shapes of the electronic excitations are investigated.

Original language	English
Pages (from-to)	247-248
Number of pages	2
Journal	Synthetic Metals
Volume	119
Issue number	1-3
DOIs	https://doi.org/10.1016/S0379-6779(00)00968-1
Publication status	Published - 15 Mar 2001

Keywords

Semi-empirical models and model calculations
UV-Vis-NIR absorption

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10.1016/S0379-6779(00)00968-1

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abstract = "Electronic spectroscopy of oligothiophenes is studied using the semi-empirical ZINDO methodology. Geometry of the neutral, and doubly charged bipolaronic forms of oligomers from 3T to 8T are optimized. Their coordinates are then used to generate various stacked structures up to tetramers. The effects of the length of the chains, number of layers in stacks, stacking distance between chains, deviation from planarity and number and relative positions of bipolaronic forms on the shapes of the electronic excitations are investigated.",

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author = "M. Yurtsever and E. Yurtsever",

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AU - Yurtsever, E.

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AB - Electronic spectroscopy of oligothiophenes is studied using the semi-empirical ZINDO methodology. Geometry of the neutral, and doubly charged bipolaronic forms of oligomers from 3T to 8T are optimized. Their coordinates are then used to generate various stacked structures up to tetramers. The effects of the length of the chains, number of layers in stacks, stacking distance between chains, deviation from planarity and number and relative positions of bipolaronic forms on the shapes of the electronic excitations are investigated.

KW - Semi-empirical models and model calculations

KW - UV-Vis-NIR absorption

UR - http://www.scopus.com/inward/record.url?scp=0035868013&partnerID=8YFLogxK

U2 - 10.1016/S0379-6779(00)00968-1

DO - 10.1016/S0379-6779(00)00968-1

M3 - Article

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SN - 0379-6779

VL - 119

SP - 247

EP - 248

JO - Synthetic Metals

JF - Synthetic Metals

IS - 1-3

ER -

Electronic excitations in stacked oligothiophenes

Abstract

Keywords

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