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Journal Article

Interacting networks of purely organic spin-1/2 dimers

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Borozdina, Y., Mostovich, E., Enkelmann, V., Wolf, B., Cong, P., Tutsch, U., et al. (2014). Interacting networks of purely organic spin-1/2 dimers. Journal of Materials Chemistry C, 2(32), 6618-6629. doi:10.1039/c4tc00399c.

Cite as: https://hdl.handle.net/21.11116/0000-0001-2980-0
In the present study we report the synthesis of some novel nitronyl nitroxide biradical systems 1–4c with various π-bridges between the radical centres. UV-Vis, IR, EPR and X-ray diffraction studies, along with MS and NMR data where appropriate, are described. Magnetic measurements revealed that the biradicals 1c, 3c and 4c exhibit a moderately strong antiferromagnetic intra-molecular exchange, whereas nitroxide 2c shows a significantly higher exchange coupling, which can only be explained by the presence of strong inter-molecular interactions. From DFT calculations performed on the basis of the X-ray crystal structure of compound 4c, a theoretical value of the intra-dimer coupling constant Jintra = −8.6 K is obtained. Direct proof also for inter-molecular arrangement with Jinter ∼ −2 K was provided by the low temperature AC studies of biradical 4c. According to the magnetic characterization, the nitronyl biradical 4c is a promising candidate for a purely organic-based low-dimensional quantum magnet.