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


Schrauben J. N. , AKDAĞ A. , Wen J., Havlas Z., Ryerson J. L. , Smith M. B. , ...Daha Fazla

JOURNAL OF PHYSICAL CHEMISTRY A, cilt.120, sa.20, ss.3473-3483, 2016 (SCI İndekslerine Giren Dergi) identifier identifier

  • Cilt numarası: 120 Konu: 20
  • Basım Tarihi: 2016
  • Doi Numarası: 10.1021/acs.jpca.6b00826
  • Dergi Adı: JOURNAL OF PHYSICAL CHEMISTRY A
  • Sayfa Sayıları: ss.3473-3483

Özet

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.