Energy diagram of triplet and singlet excited states in conjugated polymers

Y. Shimoi; S. Mazumdar

doi:10.1016/s0379-6779(97)80139-7

Energy diagram of triplet and singlet excited states in conjugated polymers

Y. Shimoi, S. Mazumdar

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

5 Scopus citations

Abstract

We have theoretically studied the triplet and singlet excited states of conjugated polymers for the purpose of further understanding the photophysics of these systems. Exact finite chain calculations within the Pariser-Parr-Pople and extended Hubbard models show that the triplet absorption energy is almost independent of the degree of bond alternation. Furthermore, the final state of this triplet-triplet transition lies below the so-called m¹A_g charge-transfer exciton due to correlation effects higher than single configuration-interaction. This indicates that the final state in triplet absorption is an exciton. Based on the exciton nature of the excited triplet state, and energy relationships between the 1¹B_u, 2¹A_g, and triplet ground state, we are able to determine the absolute lower limit for the exciton binding energy in poly(p-phenylene vinylene).

Original language	English (US)
Pages (from-to)	1027-1028
Number of pages	2
Journal	Synthetic Metals
Volume	85
Issue number	1-3
DOIs	https://doi.org/10.1016/s0379-6779(97)80139-7
State	Published - Mar 15 1997

Keywords

Photoinduced absorption spectroscopy
Poly(phenylene vinylene) and derivatives
Semi-empirical models and model calculations

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Condensed Matter Physics
Mechanics of Materials
Mechanical Engineering
Metals and Alloys
Materials Chemistry

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10.1016/s0379-6779(97)80139-7

Cite this

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title = "Energy diagram of triplet and singlet excited states in conjugated polymers",

abstract = "We have theoretically studied the triplet and singlet excited states of conjugated polymers for the purpose of further understanding the photophysics of these systems. Exact finite chain calculations within the Pariser-Parr-Pople and extended Hubbard models show that the triplet absorption energy is almost independent of the degree of bond alternation. Furthermore, the final state of this triplet-triplet transition lies below the so-called m1Ag charge-transfer exciton due to correlation effects higher than single configuration-interaction. This indicates that the final state in triplet absorption is an exciton. Based on the exciton nature of the excited triplet state, and energy relationships between the 11Bu, 21Ag, and triplet ground state, we are able to determine the absolute lower limit for the exciton binding energy in poly(p-phenylene vinylene).",

keywords = "Photoinduced absorption spectroscopy, Poly(phenylene vinylene) and derivatives, Semi-empirical models and model calculations",

author = "Y. Shimoi and S. Mazumdar",

note = "Funding Information: This work was supported by the ONR through the Center for Advanced Multifunctional Nonlinear Optical Polymers and Molecular Assemblies (CAMP) at the University of Arizona.",

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T1 - Energy diagram of triplet and singlet excited states in conjugated polymers

AU - Shimoi, Y.

AU - Mazumdar, S.

N1 - Funding Information: This work was supported by the ONR through the Center for Advanced Multifunctional Nonlinear Optical Polymers and Molecular Assemblies (CAMP) at the University of Arizona.

PY - 1997/3/15

Y1 - 1997/3/15

N2 - We have theoretically studied the triplet and singlet excited states of conjugated polymers for the purpose of further understanding the photophysics of these systems. Exact finite chain calculations within the Pariser-Parr-Pople and extended Hubbard models show that the triplet absorption energy is almost independent of the degree of bond alternation. Furthermore, the final state of this triplet-triplet transition lies below the so-called m1Ag charge-transfer exciton due to correlation effects higher than single configuration-interaction. This indicates that the final state in triplet absorption is an exciton. Based on the exciton nature of the excited triplet state, and energy relationships between the 11Bu, 21Ag, and triplet ground state, we are able to determine the absolute lower limit for the exciton binding energy in poly(p-phenylene vinylene).

AB - We have theoretically studied the triplet and singlet excited states of conjugated polymers for the purpose of further understanding the photophysics of these systems. Exact finite chain calculations within the Pariser-Parr-Pople and extended Hubbard models show that the triplet absorption energy is almost independent of the degree of bond alternation. Furthermore, the final state of this triplet-triplet transition lies below the so-called m1Ag charge-transfer exciton due to correlation effects higher than single configuration-interaction. This indicates that the final state in triplet absorption is an exciton. Based on the exciton nature of the excited triplet state, and energy relationships between the 11Bu, 21Ag, and triplet ground state, we are able to determine the absolute lower limit for the exciton binding energy in poly(p-phenylene vinylene).

KW - Photoinduced absorption spectroscopy

KW - Poly(phenylene vinylene) and derivatives

KW - Semi-empirical models and model calculations

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JO - Synthetic Metals

JF - Synthetic Metals

SN - 0379-6779

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ER -

Energy diagram of triplet and singlet excited states in conjugated polymers

Abstract

Keywords

ASJC Scopus subject areas

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