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Designing the Redox-Driven Switching of Ferro- to Antiferromagnetic Couplings in Organic Diradicals
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory.
2013 (English)In: Journal of Chemical Theory and Computation, ISSN 1549-9618, E-ISSN 1549-9626, Vol. 9, no 12, 5216-5220 p.Article in journal (Refereed) Published
Abstract [en]

Switching of the magnetic exchange coupling from ferro- to antiferromagnetic or vice versa in a single molecule is an appealing but rarely occurring phenomenon in molecular magnetism. Here, we report this for an unprecedented pure organic system, computationally designed by tailoring a conformationally restricted, known nitroxide-diradical (Rajca et al. J. Am. Chem. Soc. 2007, 129, 10159). This ferro- to antiferromagnetic coupling switching of an "m-phenylene" based diradical is governed by a stereoelectronic effect and controlled by a redox-driven chemical reaction.

Place, publisher, year, edition, pages
2013. Vol. 9, no 12, 5216-5220 p.
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Natural Sciences
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URN: urn:nbn:se:uu:diva-215285DOI: 10.1021/ct400886wISI: 000328437500002OAI: oai:DiVA.org:uu-215285DiVA: diva2:687067
Available from: 2014-01-13 Created: 2014-01-13 Last updated: 2017-12-06

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Ali, Md EhesanOppeneer, Peter M.

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