Molecular Packing and Singlet Fission: The Parent and Three Fluorinated 1,3-Diphenylisobenzofurans

0504482 - ÚOCHB 2020 RIV US eng J - Journal Article
Buchanan, E. A. - Kaleta, Jiří - Wen, Jin - Lapidus, S. H. - Císařová, I. - Havlas, Zdeněk - Johnson, J. C. - Michl, Josef
Molecular Packing and Singlet Fission: The Parent and Three Fluorinated 1,3-Diphenylisobenzofurans.
Journal of Physical Chemistry Letters. Roč. 10, č. 8 (2019), s. 1947-1953. ISSN 1948-7185
R&D Projects: GA ČR GA15-19143S
Institutional support: RVO:61388963
Keywords : exciton fission * charge transfer * thin films
OECD category: Physical chemistry
Impact factor: 6.710, year: 2019
Method of publishing: Limited access
https://pubs.acs.org/doi/10.1021/acs.jpclett.8b03875

Crystal structures, singlet fission (SF) rate constants, and other photophysical properties are reported for three fluorinated derivatives of 1,3-diphenylisobenzofuran and compared with those of the two crystal forms of the parent. The results place constraints on the notion that the effects of molecular packing on SF rates could be studied separately from effects of chromophore structural changes by examining groups of chromophores related by weakly perturbing substitution if their crystal structures are different. The results further provide experimental evidence that dimer-based models of SF are not sufficiently general and that trimer- and possibly even higher oligomer-based or many-body models need to be formulated.
Permanent Link: http://hdl.handle.net/11104/0296103