期刊
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
卷 9, 期 12, 页码 5216-5220出版社
AMER CHEMICAL SOC
DOI: 10.1021/ct400886w
关键词
-
资金
- Alexander von Humboldt foundation via a postdoctoral fellowship
- Swedish Research Council (VR)
- Spanish grants [FIS2008-02238, CTQ2012-30751]
- ICREA Academia award for excellence in research
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.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据