Competing Singlet Fission and Excimer Formation in Solid Fluorinated 1,3-Diphenylisobenzofurans

Eric Buchanan; Justin Johnson; Melissa Tan; Jiri Kaleta; Alexander Shtukenberg; Gage Bateman; Jason Benedict; Shinjiro Kobayashi; Jin Wen; Bart Kahr; Ivana Cisarova; Josef Michl

doi:10.1021/acs.jpcc.1c06712

Competing Singlet Fission and Excimer Formation in Solid Fluorinated 1,3-Diphenylisobenzofurans

Eric Buchanan, Justin Johnson, Melissa Tan, Jiri Kaleta, Alexander Shtukenberg, Gage Bateman, Jason Benedict, Shinjiro Kobayashi, Jin Wen, Bart Kahr, Ivana Cisarova, Josef Michl

Chemistry and Nanoscience

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

9 Scopus Citations

Abstract

Singlet fission (k_SF) and excimer formation (k_EXC) rate constants along with other photophysical properties of thin solid layers of 1,3-diphenylisobenzofuran and 11 of its fluorinated derivatives have been determined. The molecular properties of these compounds are similar, but their crystal packing varies widely. Most of them undergo singlet fission whereas excitation in others is trapped in excimers. The trend in rate constants k_SF agrees qualitatively with results of calculations by a simplified version of the frontier orbital model for a molecular pair. The main shortcoming of the model is discussed.

Original language	American English
Pages (from-to)	27058-27071
Number of pages	14
Journal	Journal of Physical Chemistry C
Volume	125
Issue number	49
DOIs	https://doi.org/10.1021/acs.jpcc.1c06712 https://doi.org/10.1021/acs.jpcc.1c06712
State	Published - 2021

Bibliographical note

Publisher Copyright:
© 2021 American Chemical Society

NREL Publication Number

NREL/JA-5900-80924

Keywords

molecule
singlet fission
solar-photochemistry
spectroscopy

Access to Document

Cite this

Buchanan, E., Johnson, J., Tan, M., Kaleta, J., Shtukenberg, A., Bateman, G., Benedict, J., Kobayashi, S., Wen, J., Kahr, B., Cisarova, I., & Michl, J. (2021). Competing Singlet Fission and Excimer Formation in Solid Fluorinated 1,3-Diphenylisobenzofurans. Journal of Physical Chemistry C, 125(49), 27058-27071. https://doi.org/10.1021/acs.jpcc.1c06712, https://doi.org/10.1021/acs.jpcc.1c06712

@article{bd1fdcb289f14ba4af182cf37b1692c6,

title = "Competing Singlet Fission and Excimer Formation in Solid Fluorinated 1,3-Diphenylisobenzofurans",

abstract = "Singlet fission (kSF) and excimer formation (kEXC) rate constants along with other photophysical properties of thin solid layers of 1,3-diphenylisobenzofuran and 11 of its fluorinated derivatives have been determined. The molecular properties of these compounds are similar, but their crystal packing varies widely. Most of them undergo singlet fission whereas excitation in others is trapped in excimers. The trend in rate constants kSF agrees qualitatively with results of calculations by a simplified version of the frontier orbital model for a molecular pair. The main shortcoming of the model is discussed.",

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

author = "Eric Buchanan and Justin Johnson and Melissa Tan and Jiri Kaleta and Alexander Shtukenberg and Gage Bateman and Jason Benedict and Shinjiro Kobayashi and Jin Wen and Bart Kahr and Ivana Cisarova and Josef Michl",

note = "Publisher Copyright: {\textcopyright} 2021 American Chemical Society",

year = "2021",

doi = "10.1021/acs.jpcc.1c06712",

language = "American English",

volume = "125",

pages = "27058--27071",

journal = "Journal of Physical Chemistry C",

issn = "1932-7447",

publisher = "American Chemical Society",

number = "49",

}

Buchanan, E, Johnson, J, Tan, M, Kaleta, J, Shtukenberg, A, Bateman, G, Benedict, J, Kobayashi, S, Wen, J, Kahr, B, Cisarova, I & Michl, J 2021, 'Competing Singlet Fission and Excimer Formation in Solid Fluorinated 1,3-Diphenylisobenzofurans', Journal of Physical Chemistry C, vol. 125, no. 49, pp. 27058-27071. https://doi.org/10.1021/acs.jpcc.1c06712, https://doi.org/10.1021/acs.jpcc.1c06712

TY - JOUR

T1 - Competing Singlet Fission and Excimer Formation in Solid Fluorinated 1,3-Diphenylisobenzofurans

AU - Buchanan, Eric

AU - Johnson, Justin

AU - Tan, Melissa

AU - Kaleta, Jiri

AU - Shtukenberg, Alexander

AU - Bateman, Gage

AU - Benedict, Jason

AU - Kobayashi, Shinjiro

AU - Wen, Jin

AU - Kahr, Bart

AU - Cisarova, Ivana

AU - Michl, Josef

PY - 2021

Y1 - 2021

N2 - Singlet fission (kSF) and excimer formation (kEXC) rate constants along with other photophysical properties of thin solid layers of 1,3-diphenylisobenzofuran and 11 of its fluorinated derivatives have been determined. The molecular properties of these compounds are similar, but their crystal packing varies widely. Most of them undergo singlet fission whereas excitation in others is trapped in excimers. The trend in rate constants kSF agrees qualitatively with results of calculations by a simplified version of the frontier orbital model for a molecular pair. The main shortcoming of the model is discussed.

AB - Singlet fission (kSF) and excimer formation (kEXC) rate constants along with other photophysical properties of thin solid layers of 1,3-diphenylisobenzofuran and 11 of its fluorinated derivatives have been determined. The molecular properties of these compounds are similar, but their crystal packing varies widely. Most of them undergo singlet fission whereas excitation in others is trapped in excimers. The trend in rate constants kSF agrees qualitatively with results of calculations by a simplified version of the frontier orbital model for a molecular pair. The main shortcoming of the model is discussed.

KW - molecule

KW - singlet fission

KW - solar-photochemistry

KW - spectroscopy

UR - http://www.scopus.com/inward/record.url?scp=85121213464&partnerID=8YFLogxK

U2 - 10.1021/acs.jpcc.1c06712

DO - 10.1021/acs.jpcc.1c06712

M3 - Article

AN - SCOPUS:85121213464

SN - 1932-7447

VL - 125

SP - 27058

EP - 27071

JO - Journal of Physical Chemistry C

JF - Journal of Physical Chemistry C

IS - 49

ER -

Competing Singlet Fission and Excimer Formation in Solid Fluorinated 1,3-Diphenylisobenzofurans

Abstract

Bibliographical note

NREL Publication Number

Keywords

Access to Document

Other files and links

Fingerprint

Cite this