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Quantum Chemical Approach for Organic Ferromagnetic Material Design pp 1–30Cite as

Survey of Organic Magnetism

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Abstract

In this chapter, we initially give an overview of magnetism and briefly discuss the advantages of “organic ferromagnetism.” Next, we review the many rules and indices used for predicting ferromagnetism that are proposed in the frameworks of molecular orbital methods and valence-bond theory . We introduce two types of strategies for designing ferromagnetic systems: “inter-molecular spin alignment (molecular magnets)” and “intra-molecular spin alignment (high-spin polymers).” Finally, we mention the theoretical approaches used to understand and predict magnetism in larger systems, namely, statistical treatment using the Ising model and quantum chemistry calculations for large systems.

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Authors and Affiliations

  1. Department of Material Sciences, Faculty of Engineering Sciences, Kyushu University, Kasuga, Fukuoka, Japan

    Yuriko Aoki

  2. Department of Material Sciences, Faculty of Engineering Sciences, Kyushu University, Kasuga, Fukuoka, Japan

    Yuuichi Orimoto

  3. Department of Chemistry, Faculty of Science, Hiroshima University, Higashihiroshima, Hiroshima, Japan

    Akira Imamura

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  1. Yuriko Aoki
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  2. Yuuichi Orimoto
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  3. Akira Imamura
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Correspondence to Yuriko Aoki .

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Aoki, Y., Orimoto, Y., Imamura, A. (2017). Survey of Organic Magnetism. In: Quantum Chemical Approach for Organic Ferromagnetic Material Design. SpringerBriefs in Molecular Science(). Springer, Cham. https://doi.org/10.1007/978-3-319-49829-4_1

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