Conformationally Controlled Ultrafast Intersystem Crossing in Bithiophene Systems

Anders Bo Skov; Martin Alex Bjørnholst Larsen; Mikkel B. Liisberg; Thorsten Hansen; Theis Ivan Sølling

doi:10.1039/C8CP01419A

Conformationally Controlled Ultrafast Intersystem Crossing in Bithiophene Systems

Anders Bo Skov, Martin Alex Bjørnholst Larsen, Mikkel B. Liisberg, Thorsten Hansen, Theis Ivan Sølling

Department of Chemistry

3 Citations (Scopus)

Abstract

Bithiophenes serve as model systems for larger polythiophenes used in solar cell applications and molecular electronics. We report a study of ultrafast dynamics of two bithiophene systems measured with femtosecond time-resolved photoelectron spectroscopy, and show that their intersystem crossing takes place within the first few picoseconds after excitation, in line with previous studies. We show that the intersystem crossing rate can be explained in terms of arguments based on symmetry of the S₁ minimum energy geometry, which depends on the specific conformation of bithiophene. Furthermore, this work shows that the minor cis-conformer contributes to an even higher intersystem crossing rate than the major trans conformer. The work presented here can provide guiding principles towards the design of solar cell components with even faster formation of long-lived excited states for solar energy harvesting.

Original language	English
Journal	Physical Chemistry Chemical Physics
Volume	20
Pages (from-to)	13412-13418
Number of pages	7
ISSN	1463-9076
DOIs	https://doi.org/10.1039/C8CP01419A
Publication status	Published - 2018

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title = "Conformationally Controlled Ultrafast Intersystem Crossing in Bithiophene Systems",

abstract = "Bithiophenes serve as model systems for larger polythiophenes used in solar cell applications and molecular electronics. We report a study of ultrafast dynamics of two bithiophene systems measured with femtosecond time-resolved photoelectron spectroscopy, and show that their intersystem crossing takes place within the first few picoseconds after excitation, in line with previous studies. We show that the intersystem crossing rate can be explained in terms of arguments based on symmetry of the S1 minimum energy geometry, which depends on the specific conformation of bithiophene. Furthermore, this work shows that the minor cis-conformer contributes to an even higher intersystem crossing rate than the major trans conformer. The work presented here can provide guiding principles towards the design of solar cell components with even faster formation of long-lived excited states for solar energy harvesting.",

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doi = "10.1039/C8CP01419A",

language = "English",

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pages = "13412--13418",

journal = "Physical Chemistry Chemical Physics",

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publisher = "Royal Society of Chemistry",

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T1 - Conformationally Controlled Ultrafast Intersystem Crossing in Bithiophene Systems

AU - Skov, Anders Bo

AU - Larsen, Martin Alex Bjørnholst

AU - Liisberg, Mikkel B.

AU - Hansen, Thorsten

AU - Sølling, Theis Ivan

PY - 2018

Y1 - 2018

N2 - Bithiophenes serve as model systems for larger polythiophenes used in solar cell applications and molecular electronics. We report a study of ultrafast dynamics of two bithiophene systems measured with femtosecond time-resolved photoelectron spectroscopy, and show that their intersystem crossing takes place within the first few picoseconds after excitation, in line with previous studies. We show that the intersystem crossing rate can be explained in terms of arguments based on symmetry of the S1 minimum energy geometry, which depends on the specific conformation of bithiophene. Furthermore, this work shows that the minor cis-conformer contributes to an even higher intersystem crossing rate than the major trans conformer. The work presented here can provide guiding principles towards the design of solar cell components with even faster formation of long-lived excited states for solar energy harvesting.

AB - Bithiophenes serve as model systems for larger polythiophenes used in solar cell applications and molecular electronics. We report a study of ultrafast dynamics of two bithiophene systems measured with femtosecond time-resolved photoelectron spectroscopy, and show that their intersystem crossing takes place within the first few picoseconds after excitation, in line with previous studies. We show that the intersystem crossing rate can be explained in terms of arguments based on symmetry of the S1 minimum energy geometry, which depends on the specific conformation of bithiophene. Furthermore, this work shows that the minor cis-conformer contributes to an even higher intersystem crossing rate than the major trans conformer. The work presented here can provide guiding principles towards the design of solar cell components with even faster formation of long-lived excited states for solar energy harvesting.

U2 - 10.1039/C8CP01419A

DO - 10.1039/C8CP01419A

M3 - Journal article

SN - 1463-9076

VL - 20

SP - 13412

EP - 13418

JO - Physical Chemistry Chemical Physics

JF - Physical Chemistry Chemical Physics

ER -

Conformationally Controlled Ultrafast Intersystem Crossing in Bithiophene Systems

Abstract

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