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Title: Singlet Fission and Excimer Formation in Disordered Solids of Alkyl-Substituted 1,3-Diphenylisobenzofurans

Here, we describe the preparation and excited state dynamics of three alkyl derivatives of 1,3-diphenylisobenzofuran (1) in both solutions and thin films. The substitutions are intended to disrupt the slip-stacked packing observed in crystals of 1 while maintaining the favorable energies of singlet and triplet for singlet fission (SF). All substitutions result in films that are largely amorphous as judged by the absence of strong X-ray diffraction peaks.
Authors:
 [1] ; ORCiD logo [2] ; ORCiD logo [3]
  1. Univ. of Colorado, Boulder, CO (United States). Dept. of Chemistry and Biochemistry
  2. Univ. of Colorado, Boulder, CO (United States). Dept. of Chemistry and Biochemistry; y, Academy of Sciences of the Czech Republic, Prague (Czech Republic). Inst. of Organic Chemistry and Biochemistry
  3. National Renewable Energy Lab. (NREL), Golden, CO (United States)
Publication Date:
Report Number(s):
NREL/JA-5900-68951
Journal ID: ISSN 1089-5639
Grant/Contract Number:
AC36-08GO28308; SC0007004
Type:
Accepted Manuscript
Journal Name:
Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory
Additional Journal Information:
Journal Volume: 121; Journal Issue: 45; Journal ID: ISSN 1089-5639
Publisher:
American Chemical Society
Research Org:
National Renewable Energy Lab. (NREL), Golden, CO (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; singlet fission; thin film; photophysics; triplet; excimer
OSTI Identifier:
1409160

Dron, Paul I., Michl, Josef, and Johnson, Justin C.. Singlet Fission and Excimer Formation in Disordered Solids of Alkyl-Substituted 1,3-Diphenylisobenzofurans. United States: N. p., Web. doi:10.1021/acs.jpca.7b07362.
Dron, Paul I., Michl, Josef, & Johnson, Justin C.. Singlet Fission and Excimer Formation in Disordered Solids of Alkyl-Substituted 1,3-Diphenylisobenzofurans. United States. doi:10.1021/acs.jpca.7b07362.
Dron, Paul I., Michl, Josef, and Johnson, Justin C.. 2017. "Singlet Fission and Excimer Formation in Disordered Solids of Alkyl-Substituted 1,3-Diphenylisobenzofurans". United States. doi:10.1021/acs.jpca.7b07362. https://www.osti.gov/servlets/purl/1409160.
@article{osti_1409160,
title = {Singlet Fission and Excimer Formation in Disordered Solids of Alkyl-Substituted 1,3-Diphenylisobenzofurans},
author = {Dron, Paul I. and Michl, Josef and Johnson, Justin C.},
abstractNote = {Here, we describe the preparation and excited state dynamics of three alkyl derivatives of 1,3-diphenylisobenzofuran (1) in both solutions and thin films. The substitutions are intended to disrupt the slip-stacked packing observed in crystals of 1 while maintaining the favorable energies of singlet and triplet for singlet fission (SF). All substitutions result in films that are largely amorphous as judged by the absence of strong X-ray diffraction peaks.},
doi = {10.1021/acs.jpca.7b07362},
journal = {Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory},
number = 45,
volume = 121,
place = {United States},
year = {2017},
month = {10}
}