Low Temperature Insights into the Crystal and Magnetic Structure of a Neutral Radical Ferromagnet
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Date
2021-09-16
Authors
Oakley, Richard
Robertson, Craig
Winter, Stephen
Howard, Judith
Probert, Michael
Advisor
Journal Title
Journal ISSN
Volume Title
Publisher
Royal Society of Chemistry
Abstract
The crystal structure of the radical ferromagnet 1a at 2 K reveals a contraction in the unit cell c 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.
Description
Keywords
X-ray crystallography, low temperature, ferromagnetism, neutral radical, DFT calculations