Excitation Localization/Delocalization Isomerism in a Strongly Coupled Covalent Dimer of 1,3-Diphenylisobenzofuran

Joel N. Schrauben; Akin Akdag; Jin Wen; Zdenek Havlas; Joseph L. Ryerson; Millie B. Smith; Josef Michl; Justin C. Johnson

doi:10.1021/acs.jpca.6b00826

Excitation Localization/Delocalization Isomerism in a Strongly Coupled Covalent Dimer of 1,3-Diphenylisobenzofuran

Joel N. Schrauben
, Akin Akdag
, Jin Wen
, Zdenek Havlas
, Joseph L. Ryerson
, Millie B. Smith
, Josef Michl
, Justin C. Johnson

Chemistry and Nanoscience

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

37 Scopus Citations

Abstract

Two isomers of both the lowest excited singlet (S₁) and triplet (T₁) states of the directly para, para′-connected covalent dimer of the singlet-fission chromophore 1,3-diphenylisobenzofuran have been observed. In one isomer, excitation is delocalized over both halves of the dimer, and in the other, it is localized on one or the other half. For a covalent dimer in solution, such "excitation isomerism" is extremely rare. The vibrationally relaxed isomers do not interconvert, and their photophysical properties, including singlet fission, differ significantly.

Original language	American English
Pages (from-to)	3473-3483
Number of pages	11
Journal	Journal of Physical Chemistry A
Volume	120
Issue number	20
DOIs	https://doi.org/10.1021/acs.jpca.6b00826 https://doi.org/10.1021/acs.jpca.6b00826
State	Published - 26 May 2016

Bibliographical note

Publisher Copyright:
© 2016 American Chemical Society.

NLR Publication Number

NREL/JA-5900-64670

Keywords

dimers
singlet fission
solar-photochemistry
spectroscopy

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Cite this

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title = "Excitation Localization/Delocalization Isomerism in a Strongly Coupled Covalent Dimer of 1,3-Diphenylisobenzofuran",

abstract = "Two isomers of both the lowest excited singlet (S1) and triplet (T1) states of the directly para, para′-connected covalent dimer of the singlet-fission chromophore 1,3-diphenylisobenzofuran have been observed. In one isomer, excitation is delocalized over both halves of the dimer, and in the other, it is localized on one or the other half. For a covalent dimer in solution, such {"}excitation isomerism{"} is extremely rare. The vibrationally relaxed isomers do not interconvert, and their photophysical properties, including singlet fission, differ significantly.",

keywords = "dimers, singlet fission, solar-photochemistry, spectroscopy",

author = "Schrauben, \{Joel N.\} and Akin Akdag and Jin Wen and Zdenek Havlas and Ryerson, \{Joseph L.\} and Smith, \{Millie B.\} and Josef Michl and Johnson, \{Justin C.\}",

note = "Publisher Copyright: {\textcopyright} 2016 American Chemical Society.",

year = "2016",

month = may,

day = "26",

doi = "10.1021/acs.jpca.6b00826",

language = "American English",

volume = "120",

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T1 - Excitation Localization/Delocalization Isomerism in a Strongly Coupled Covalent Dimer of 1,3-Diphenylisobenzofuran

AU - Schrauben, Joel N.

AU - Akdag, Akin

AU - Wen, Jin

AU - Havlas, Zdenek

AU - Ryerson, Joseph L.

AU - Smith, Millie B.

AU - Michl, Josef

AU - Johnson, Justin C.

PY - 2016/5/26

Y1 - 2016/5/26

N2 - Two isomers of both the lowest excited singlet (S1) and triplet (T1) states of the directly para, para′-connected covalent dimer of the singlet-fission chromophore 1,3-diphenylisobenzofuran have been observed. In one isomer, excitation is delocalized over both halves of the dimer, and in the other, it is localized on one or the other half. For a covalent dimer in solution, such "excitation isomerism" is extremely rare. The vibrationally relaxed isomers do not interconvert, and their photophysical properties, including singlet fission, differ significantly.

AB - Two isomers of both the lowest excited singlet (S1) and triplet (T1) states of the directly para, para′-connected covalent dimer of the singlet-fission chromophore 1,3-diphenylisobenzofuran have been observed. In one isomer, excitation is delocalized over both halves of the dimer, and in the other, it is localized on one or the other half. For a covalent dimer in solution, such "excitation isomerism" is extremely rare. The vibrationally relaxed isomers do not interconvert, and their photophysical properties, including singlet fission, differ significantly.

KW - dimers

KW - singlet fission

KW - solar-photochemistry

KW - spectroscopy

UR - https://www.scopus.com/pages/publications/84973495956

U2 - 10.1021/acs.jpca.6b00826

DO - 10.1021/acs.jpca.6b00826

M3 - Article

AN - SCOPUS:84973495956

SN - 1089-5639

VL - 120

SP - 3473

EP - 3483

JO - Journal of Physical Chemistry A

JF - Journal of Physical Chemistry A

IS - 20

ER -

Excitation Localization/Delocalization Isomerism in a Strongly Coupled Covalent Dimer of 1,3-Diphenylisobenzofuran

Abstract

Bibliographical note

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Keywords

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