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

Date

2016-05-26

Author

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

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Two isomers of both the lowest excited singlet (S-1) and triplet (T-1) 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.

Subject Keywords

Physical and Theoretical Chemistry

URI

https://hdl.handle.net/11511/39355

Journal

JOURNAL OF PHYSICAL CHEMISTRY A

DOI

https://doi.org/10.1021/acs.jpca.6b00826

Collections

Department of Chemistry, Article

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Citation Formats

J. N. Schrauben et al., “Excitation Localization/Delocalization Isomerism in a Strongly Coupled Covalent Dimer of 1,3-Diphenylisobenzofuran,” JOURNAL OF PHYSICAL CHEMISTRY A, pp. 3473–3483, 2016, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/39355.