Designing the Redox-Driven Switching of Ferro- to Antiferromagnetic Couplings in Organic Diradicals
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
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.
IdentifiersURN: urn:nbn:se:uu:diva-215285DOI: 10.1021/ct400886wISI: 000328437500002OAI: oai:DiVA.org:uu-215285DiVA: diva2:687067