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

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• 作者：Joel N. Schrauben ; Akin Akdag ; Jin Wen ; Zdenek Havlas ; Joseph L. Ryerson ; Millie B. Smith ; Josef Michl ; Justin C. Johnson
• 刊名：Journal of Physical Chemistry A
• 出版年：2016
• 出版时间：May 26, 2016
• 年：2016
• 卷：120
• 期：20
• 页码：3473-3483
• 全文大小：541K
• 年卷期：0
• ISSN：1520-5215

文摘

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.