Semi-empirical APUHF and ab initio UNO CASSCF/4-31G calculations have been carded out for the dimer of m-N-methylpyridinium nitronyl nitroxide cation (m-MPYNN + ) extracted from its experimental crystal structure in order to elucidate the origin of the large ferromagnetic effective exchange integral
โฆ LIBER โฆ
Ferromagnetic and antiferromagnetic intermolecular interactions in the two-dimensional triangular lattice of the m-N-methylpyridinium nitronyl nitroxide cation radical
โ Scribed by Kunio Awaga; Tamotsu Inabe; Yusei Maruyama; Takayoshi Nakamura; Mutsuyoshi Matsumoto
- Publisher
- Elsevier Science
- Year
- 1992
- Tongue
- English
- Weight
- 324 KB
- Volume
- 195
- Category
- Article
- ISSN
- 0009-2614
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โฆ Synopsis
An a-nitronyl nitroxide cation radical, 2-( 3-N-methylpyridinium)-4,4,5,5-tetramethyl-4,5-dihydro-lH-imidazol-l-oxyl 3-Noxide, has been found to possess a unique structure and magnetic properties: the molecules are manifested as dimers with a very short intermolecular contact between the NO group and the pyridinium ring, and the dimer units form an organic 2D triangular lattice. It includes both ferromagnetic and antiferromagnetic intermolecular interactions.
๐ SIMILAR VOLUMES
Ferromagnetic intermolecular interaction
โ
M. Okumura; K. Yamaguchi; K. Awaga
๐
Article
๐
1994
๐
Elsevier Science
๐
English
โ 488 KB