Crystal structures, singlet fission rate constants, and other photophysical properties for three fluorinated derivatives of 1,3-diphenylisobenzofuran and their comparison with those of the two crystal forms of the parent – this is a new Journal of Physical Chemistry Letters paper from Jiří Kaleta, Jin Wen, Zdeněk Havlas and Josef Michl of the IOCB Prague and colleagues from the University of Colorado Boulder.
Their results place constraints on the notion that the effects of molecular packing on singlet fission rates could be studied separately from the effects of chromophore structural changes by examining groups of chromophores related by weakly perturbing substitution if their crystal structures are different.
The researchers also provide experimental evidence that dimer-based models of singlet fission are not sufficiently general and that trimer- and possibly even higher oligomer-based or many-body models need to be formulated.
Read the paper:
- Buchanan, E. A.; Kaleta, J.; Wen, J.; Lapidus, S. H.; Císařová, I.; Havlas, Z.; Johnson, J. C.; Michl, J. Molecular Packing and Singlet Fission: The Parent and Three Fluorinated 1,3-Diphenylisobenzofurans. J. Phys. Chem. Lett. 2019, 10, 1947-1953. https://doi.org/10.1021/acs.jpclett.8b03875
