The electronic structure of 2-methoxy-1,3,5-benzenetriyltris (N-hydronitroxide) (MBTN) is discussed with the ab initio molecular orbital method at the second-order Møller-Plesset perturbation level of theory. The result explains why high-spin states are unstable in some hindered nitroxide di-and triradicals coupled through m-phenylene.
All Science Journal Classification (ASJC) codes
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics
- Mechanics of Materials
- Mechanical Engineering
- Metals and Alloys
- Materials Chemistry