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In contrast, when two fluorene radicals are tethered to CP via C9 through a single C—C bond, ferromagnetic FM coupling is manifested by both diradical isomers featuring pseudometa- and pseudopara-connectivity. CCDC — , , and contain the supplementary crystallographic data for this paper. These data can be obtained free of charge via www.

Such files may be downloaded by article for research use if there is a public use license linked to the relevant article, that license may permit other uses. More by Han Han. More by Di Zhang. More by Ziqi Zhu. More by Rong Wei. More by Xiao Xiao. More by Xiaoge Wang. More by Yiming Liu. More by Yuguo Ma. More by Dahui Zhao. Cite this: J. Article Views Altmetric -. Supporting Information. Cited By. The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online.

Clicking on the donut icon will load a page at altmetric. Find more information on the Altmetric Attention Score and how the score is calculated. We investigate the effect of molecular geometry and conformational flexibility on electronic coupling and charge transfer interactions within propeller-shaped perylene diimide PDI tetramer arrays differing by the number of covalent linkages to a central spirobifluorene core.

Interestingly, both tetramers exhibit charge transfer character in their fluorescence emission, but this is most prominent in the rigid tetramer, which displays dominant long-lived excimer behavior in addition to a minority component resembling single PDI-like emission. We then use single-molecule spectroscopy and imaging to understand how conformational-dependent charge transfer properties influence tetramer photophysics.

Electronic structure simulations were next performed to aid in the assignment of electronic transitions and photophysical behavior. Floppy tetramer canonical and natural transition orbitals reveal remarkable similarities with significant charge transfer character in the lowest energy excited states involving transverse PDI units and appreciable spirobifluorene contributions in the ground electronic state.

Rigid tetramers exhibit greater electronic delocalization, and calculated absorption transition energies show good agreement with experiment, although excited-state interactions are less straightforward to discern from simulations.

Raman spectroscopy and polarization-dependent single-molecule spectroscopy were also performed, supporting assignments based on theoretical predictions and electronic spectroscopy results. Overall, we demonstrate the importance of molecular geometry and conformational flexibility of multichromophore arrays in determining the nature of electronic interactions in ground and excited states, which can eventually be harnessed to improve performance attributes at the materials level.

Structure of the putative rigid isomer, fluorescence lifetimes, blinking lability analyses, statistical blinking behaviors, optimized geometries and DFT output, time-dependent DFT excitation energies, and calculation of polarization modulation depths PDF. Such files may be downloaded by article for research use if there is a public use license linked to the relevant article, that license may permit other uses.

C , , 41 , More by David J. Walwark, Jr. More by Benjamin D. More by Qinghe Wu. More by Andriy Neshchadin. More by Margaret L. More by Luping Yu. More by John K. Cite this: J. C , , 41 , — Article Views Altmetric -.