Midgap levels of photoexcited conductive polymers. II. Detailed analysis of trans‐polyacetylene

Kazuyoshi Tanaka; Kazunari Yoshizawa; Tomonari Takeuchi; Tokio Yamabe

doi:10.1002/qua.560400305

Midgap levels of photoexcited conductive polymers. II. Detailed analysis of trans‐polyacetylene

Kazuyoshi Tanaka, Kazunari Yoshizawa, Tomonari Takeuchi, Tokio Yamabe

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Abstract

We have studied in more detail aspects of the soliton‐antisoliton pair in a trans‐polyacetylene chain based on our previous study of the midgap levels associated with the photogenerated oppositely charged soliton‐antisoliton pair in conductive polymers employing the concept of the molecular orbital interaction (Part I of this study, this issue). The intersoliton distance has been estimated to be about 10 Å from the Pariser–Parr–Pople method. We have found that the energy gap between the midgap levels is estimated to be 0.45 eV, being significantly related to an additional photoinduced absorption.

Original language	English
Pages (from-to)	315-322
Number of pages	8
Journal	International Journal of Quantum Chemistry
Volume	40
Issue number	3
DOIs	https://doi.org/10.1002/qua.560400305
Publication status	Published - Sept 1991
Externally published	Yes

All Science Journal Classification (ASJC) codes

Atomic and Molecular Physics, and Optics
Condensed Matter Physics
Physical and Theoretical Chemistry

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abstract = "We have studied in more detail aspects of the soliton‐antisoliton pair in a trans‐polyacetylene chain based on our previous study of the midgap levels associated with the photogenerated oppositely charged soliton‐antisoliton pair in conductive polymers employing the concept of the molecular orbital interaction (Part I of this study, this issue). The intersoliton distance has been estimated to be about 10 {\AA} from the Pariser–Parr–Pople method. We have found that the energy gap between the midgap levels is estimated to be 0.45 eV, being significantly related to an additional photoinduced absorption.",

author = "Kazuyoshi Tanaka and Kazunari Yoshizawa and Tomonari Takeuchi and Tokio Yamabe",

year = "1991",

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AU - Tanaka, Kazuyoshi

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AU - Takeuchi, Tomonari

AU - Yamabe, Tokio

PY - 1991/9

Y1 - 1991/9

N2 - We have studied in more detail aspects of the soliton‐antisoliton pair in a trans‐polyacetylene chain based on our previous study of the midgap levels associated with the photogenerated oppositely charged soliton‐antisoliton pair in conductive polymers employing the concept of the molecular orbital interaction (Part I of this study, this issue). The intersoliton distance has been estimated to be about 10 Å from the Pariser–Parr–Pople method. We have found that the energy gap between the midgap levels is estimated to be 0.45 eV, being significantly related to an additional photoinduced absorption.

AB - We have studied in more detail aspects of the soliton‐antisoliton pair in a trans‐polyacetylene chain based on our previous study of the midgap levels associated with the photogenerated oppositely charged soliton‐antisoliton pair in conductive polymers employing the concept of the molecular orbital interaction (Part I of this study, this issue). The intersoliton distance has been estimated to be about 10 Å from the Pariser–Parr–Pople method. We have found that the energy gap between the midgap levels is estimated to be 0.45 eV, being significantly related to an additional photoinduced absorption.

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Midgap levels of photoexcited conductive polymers. II. Detailed analysis of trans‐polyacetylene

Abstract

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