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.
authors.affiliation: National Renewable Energy Laboratory , Golden, Colorado 80401, United States.
authors.forename: Joel N
authors.initials: JN
authors.lastname: Schrauben
authors.affiliation: Department of Chemistry, Middle East Technical University , 06800 Ankara, Turkey.
authors.forename: Akin
authors.initials: A
authors.lastname: Akdag
authors.affiliation: Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic , 16610 Prague, Czech Republic.
authors.forename: Jin
authors.initials: J
authors.lastname: Wen
authors.affiliation: Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic , 16610 Prague, Czech Republic.
authors.forename: Zdenek
authors.initials: Z
authors.lastname: Havlas
authors.affiliation: National Renewable Energy Laboratory , Golden, Colorado 80401, United States.|Department of Chemistry and Biochemistry, University of Colorado at Boulder , Boulder, Colorado 80309, United States.
authors.forename: Joseph L
authors.initials: JL
authors.lastname: Ryerson
authors.forename: Millie B
authors.initials: MB
authors.lastname: Smith
authors.affiliation: Department of Chemistry and Biochemistry, University of Colorado at Boulder , Boulder, Colorado 80309, United States.|Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic , 16610 Prague, Czech Republic.
authors.forename: Josef
authors.initials: J
authors.lastname: Michl
authors.affiliation: National Renewable Energy Laboratory , Golden, Colorado 80401, United States.
authors.forename: Justin C
authors.initials: JC
authors.lastname: Johnson