Abstract
A theoretical study on magnetic properties of imidazolyl nitronyl nitroxide derivatives was presented. The theoretical calculations carried out for their dimeric coordinates were obtained from x-ray analysis and magnetic interaction pathways were investigated. It was found that the calculated coupling constant values for both full and simplified dimers reproduced experimental results satisfactorily, showing that direct SOMO-SOMO interaction mainly contributed to the magnetic interaction pathways.
| Original language | English |
|---|---|
| Pages (from-to) | 1257-1258 |
| Number of pages | 2 |
| Journal | Synthetic Metals |
| Volume | 137 |
| Issue number | 1-3 |
| DOIs | |
| Publication status | Published - 2003 Apr 4 |
| Event | ICSM 2002 - Shanghai, China Duration: 2002 Jun 29 → 2002 Jul 5 |
Keywords
- Benzimidzole
- Density functional calculation
- Imidazole
- Magnetic measurements
- Nitronyl nitroxide
- X-ray diffraction
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics
- Mechanics of Materials
- Mechanical Engineering
- Metals and Alloys
- Materials Chemistry