The crystal structure of the radical ferromagnet 1a at 2 K reveals a contraction in the unit cell constant which, at the molecular level, translates into a decrease in slippage of the radical π-stacks and an increase in ferromagnetic exchange interactions along the stacking axis. The results of BS-DFT calculations using long-range corrected functionals are consistent with an overall ferromagnetic topology.
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http://dx.doi.org/10.1039/d1cc03842g | DOI Listing |
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