Thermochromism in poly(3-hexylthiophene) in the solid state: A spectroscopic study of temperature-dependent conformational defects

W. R. Salaneck; O. Inganäs; B. Thémans; J. O. Nilsson; B. Sjögren; J. E. Österholm; J. L. Brèdas; S. Svensson

doi:10.1063/1.454802

Thermochromism in poly(3-hexylthiophene) in the solid state: A spectroscopic study of temperature-dependent conformational defects

W. R. Salaneck^*, O. Inganäs, B. Thémans, J. O. Nilsson, B. Sjögren, J. E. Österholm, J. L. Brèdas, S. Svensson

^*Corresponding author for this work

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

244 Scopus citations

Abstract

Reversible thermochromism in thin solid films of poly(3-hexylthiophene), or P3HT, has been studied using ultraviolet and x-ray photoelectron spectroscopies (UPS and XPS, respectively). The UPS and XPS spectra, as well as previously published optical absorption spectra, are analyzed using the results of valence effective Hamiltonian (VEH) quantum chemical calculations of the electronic structure of isolated polymer chains. The analysis of the spectra indicates that at elevated temperatures thermally induced electronic localization occurs as a consequence of thermally induced conformational disorder.

Original language	English (US)
Pages (from-to)	4613-4619
Number of pages	7
Journal	The Journal of chemical physics
Volume	89
Issue number	8
DOIs	https://doi.org/10.1063/1.454802
State	Published - 1988
Externally published	Yes

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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@article{0d0f2c89cd444418886edd96a225a178,

title = "Thermochromism in poly(3-hexylthiophene) in the solid state: A spectroscopic study of temperature-dependent conformational defects",

abstract = "Reversible thermochromism in thin solid films of poly(3-hexylthiophene), or P3HT, has been studied using ultraviolet and x-ray photoelectron spectroscopies (UPS and XPS, respectively). The UPS and XPS spectra, as well as previously published optical absorption spectra, are analyzed using the results of valence effective Hamiltonian (VEH) quantum chemical calculations of the electronic structure of isolated polymer chains. The analysis of the spectra indicates that at elevated temperatures thermally induced electronic localization occurs as a consequence of thermally induced conformational disorder.",

author = "Salaneck, {W. R.} and O. Ingan{\"a}s and B. Th{\'e}mans and Nilsson, {J. O.} and B. Sj{\"o}gren and {\"O}sterholm, {J. E.} and Br{\`e}das, {J. L.} and S. Svensson",

year = "1988",

doi = "10.1063/1.454802",

language = "English (US)",

volume = "89",

pages = "4613--4619",

journal = "The Journal of chemical physics",

issn = "0021-9606",

publisher = "AIP Publishing",

number = "8",

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TY - JOUR

T1 - Thermochromism in poly(3-hexylthiophene) in the solid state

T2 - A spectroscopic study of temperature-dependent conformational defects

AU - Salaneck, W. R.

AU - Inganäs, O.

AU - Thémans, B.

AU - Nilsson, J. O.

AU - Sjögren, B.

AU - Österholm, J. E.

AU - Brèdas, J. L.

AU - Svensson, S.

PY - 1988

Y1 - 1988

N2 - Reversible thermochromism in thin solid films of poly(3-hexylthiophene), or P3HT, has been studied using ultraviolet and x-ray photoelectron spectroscopies (UPS and XPS, respectively). The UPS and XPS spectra, as well as previously published optical absorption spectra, are analyzed using the results of valence effective Hamiltonian (VEH) quantum chemical calculations of the electronic structure of isolated polymer chains. The analysis of the spectra indicates that at elevated temperatures thermally induced electronic localization occurs as a consequence of thermally induced conformational disorder.

AB - Reversible thermochromism in thin solid films of poly(3-hexylthiophene), or P3HT, has been studied using ultraviolet and x-ray photoelectron spectroscopies (UPS and XPS, respectively). The UPS and XPS spectra, as well as previously published optical absorption spectra, are analyzed using the results of valence effective Hamiltonian (VEH) quantum chemical calculations of the electronic structure of isolated polymer chains. The analysis of the spectra indicates that at elevated temperatures thermally induced electronic localization occurs as a consequence of thermally induced conformational disorder.

UR - http://www.scopus.com/inward/record.url?scp=36549097677&partnerID=8YFLogxK

U2 - 10.1063/1.454802

DO - 10.1063/1.454802

M3 - Article

AN - SCOPUS:36549097677

SN - 0021-9606

VL - 89

SP - 4613

EP - 4619

JO - The Journal of chemical physics

JF - The Journal of chemical physics

IS - 8

ER -

Thermochromism in poly(3-hexylthiophene) in the solid state: A spectroscopic study of temperature-dependent conformational defects

Abstract

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