Theoretical Studies of Intra- and Inter- Magnetic Interactions in TMAO(1,3,5,7 - Tetramethyl - 2, 6- Diazaadamantane N, N′ - Dioxyl)

Ferromagnetic properties of TMAO organic crystal, especially α-form crystal, are studied theoretically. There are two nitroxide groups, that is, both intramolecular magnetic interaction in one molecule and inter-molecular interaction between two molecules are expected in contrast to many organic fer...

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Bibliographic Details
Published in:Molecular crystals and liquid crystals science and technology. Section A, Molecular crystals and liquid crystals Molecular crystals and liquid crystals, 1999-09, Vol.335 (1), p.697-706
Main Authors: Kawakami, Takashi, Oda, Akifumi, Takeda, Sadamu, Mori, Wasuke, Yamaguchi, Kizashi
Format: Article
Language:English
Subjects:
ab initio MO calculation
Condensed matter: electronic structure, electrical, magnetic, and optical properties
Critical-point effects, specific heats, short-range order
Effective exchange interaction
Exact sciences and technology
Ferromagnetic interaction
Magnetic properties and materials
Molecular magnets
Numerical simulation studies
Physics
Studies of specific magnetic materials
TMAO
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Summary:Ferromagnetic properties of TMAO organic crystal, especially α-form crystal, are studied theoretically. There are two nitroxide groups, that is, both intramolecular magnetic interaction in one molecule and inter-molecular interaction between two molecules are expected in contrast to many organic ferromagnetic crystalline species that have been reported by other groups. Obtained J ab values for intra- and inter- molecular interactions are positive and small positive for only a few pairs, respectively. Cooperation of two types of magnetic coupling is essential to realize bulk ferromagnetic behavior.
ISSN:1058-725X
DOI:10.1080/10587259908028909