PAH/PAH(CF₃ )_n Donor/Acceptor Charge-Transfer Complexes in Solution and in Solid-State Co-Crystals.

ABSTRACT: A solution, solid-state, and computational study is reported of polycyclic aromatic hydrocarbon PAH/PAH(CF₃ )_n donor/acceptor (D/A) charge-transfer complexes that involve six PAH(CF₃ )_n acceptors with known gas-phase electron affinities that range from 2.11(2) to 2.805(15) eV and four PAH donors, including seven CT co-crystal X-ray structures that exhibit hexagonal arrays of mixed π-stacks with 1/1, 1/2, or 2/1 D/A stoichiometries (PAH=anthracene, azulene, coronene, perylene, pyrene, triphenylene; n=5, 6). These are the first D/A CT complexes with PAH(CF₃ )_n acceptors to be studied in detail. The nine D/A combinations were chosen to allow several structural and electronic comparisons to be made, providing new insights about

SUBMITTER: Castro KP 

PROVIDER: S-EPMC6916568 | biostudies-literature | 2019 Oct

REPOSITORIES: biostudies-literature