Electronic structure of polydithieno[3,4-b;3′,4′-d]thiophene, a small bandgap conjugated polymer

C. Quattrocchi; R. Lazzaroni; J. L. Bredas; R. Zamboni; C. Taliani

Electronic structure of polydithieno[3,4-b;3′,4′-d]thiophene, a small bandgap conjugated polymer

C. Quattrocchi^*, R. Lazzaroni, J. L. Bredas, R. Zamboni, C. Taliani

^*Corresponding author for this work

Research output: Contribution to journal › Conference article › peer-review

5 Scopus citations

Abstract

We use a quantum chemical approach to investigate the chemical and electronic structure of polydithieno[3,4-b;3′,4′-d]thiophene (PDTT′), for which the monomer unit possesses four potential linking sites on α carbon positions. Semiempirical Austin Model 1 (AM1) calculations are performed on oligomer systems, considering different types of connection between the DTT′ units, to determine the most favorable chain conformation and the relative stabilities of the oligomer segments. The electronic properties of the corresponding polymers are calculated with the Valence Effective Hamiltonian (VEH) method and compared to the results of optical spectroscopy.

Original language	English (US)
Pages (from-to)	4399-4404
Number of pages	6
Journal	Synthetic Metals
Volume	57
Issue number	2 -3 pt 6
State	Published - Jan 1 1993
Externally published	Yes
Event	Proceedings of the International Conferece on Science and Technology of Synthetic Metals - Goteborg, Swed Duration: Aug 12 1992 → Aug 18 1992

ASJC Scopus subject areas

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

Cite this

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title = "Electronic structure of polydithieno[3,4-b;3′,4′-d]thiophene, a small bandgap conjugated polymer",

abstract = "We use a quantum chemical approach to investigate the chemical and electronic structure of polydithieno[3,4-b;3′,4′-d]thiophene (PDTT′), for which the monomer unit possesses four potential linking sites on α carbon positions. Semiempirical Austin Model 1 (AM1) calculations are performed on oligomer systems, considering different types of connection between the DTT′ units, to determine the most favorable chain conformation and the relative stabilities of the oligomer segments. The electronic properties of the corresponding polymers are calculated with the Valence Effective Hamiltonian (VEH) method and compared to the results of optical spectroscopy.",

author = "C. Quattrocchi and R. Lazzaroni and Bredas, {J. L.} and R. Zamboni and C. Taliani",

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note = "Proceedings of the International Conferece on Science and Technology of Synthetic Metals ; Conference date: 12-08-1992 Through 18-08-1992",

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TY - JOUR

T1 - Electronic structure of polydithieno[3,4-b;3′,4′-d]thiophene, a small bandgap conjugated polymer

AU - Quattrocchi, C.

AU - Lazzaroni, R.

AU - Bredas, J. L.

AU - Zamboni, R.

AU - Taliani, C.

PY - 1993/1/1

Y1 - 1993/1/1

N2 - We use a quantum chemical approach to investigate the chemical and electronic structure of polydithieno[3,4-b;3′,4′-d]thiophene (PDTT′), for which the monomer unit possesses four potential linking sites on α carbon positions. Semiempirical Austin Model 1 (AM1) calculations are performed on oligomer systems, considering different types of connection between the DTT′ units, to determine the most favorable chain conformation and the relative stabilities of the oligomer segments. The electronic properties of the corresponding polymers are calculated with the Valence Effective Hamiltonian (VEH) method and compared to the results of optical spectroscopy.

AB - We use a quantum chemical approach to investigate the chemical and electronic structure of polydithieno[3,4-b;3′,4′-d]thiophene (PDTT′), for which the monomer unit possesses four potential linking sites on α carbon positions. Semiempirical Austin Model 1 (AM1) calculations are performed on oligomer systems, considering different types of connection between the DTT′ units, to determine the most favorable chain conformation and the relative stabilities of the oligomer segments. The electronic properties of the corresponding polymers are calculated with the Valence Effective Hamiltonian (VEH) method and compared to the results of optical spectroscopy.

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M3 - Conference article

AN - SCOPUS:0027575744

SN - 0379-6779

VL - 57

SP - 4399

EP - 4404

JO - Synthetic Metals

JF - Synthetic Metals

IS - 2 -3 pt 6

T2 - Proceedings of the International Conferece on Science and Technology of Synthetic Metals

Y2 - 12 August 1992 through 18 August 1992

ER -

Electronic structure of polydithieno[3,4-b;3′,4′-d]thiophene, a small bandgap conjugated polymer

Abstract

ASJC Scopus subject areas

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