HIGH-SPIN STATE INSTABILITY IN NITROXIDE TRIRADICAL COUPLED THROUGH M-PHENYLENE

Authors
YOSHIZAWA K KUGA T HATANAKA M TANAKA K YAMABE T
Citation
K. Yoshizawa et al., HIGH-SPIN STATE INSTABILITY IN NITROXIDE TRIRADICAL COUPLED THROUGH M-PHENYLENE, Synthetic metals, 85(1-3), 1997, pp. 1765-1766
Citations number
6
Categorie Soggetti
Physics, Condensed Matter","Material Science","Polymer Sciences
Journal title
Synthetic metals → ACNP
ISSN journal
03796779
Volume
85
Issue
1-3
Year of publication
1997
Pages
1765 - 1766
Database
ISI
SICI code
0379-6779(1997)85:1-3<1765:HSIINT>2.0.ZU;2-H
Abstract
The electronic structure of 2-methoxy-1,3,5-benzenetriyltris (N-hydron itroxide) (MBTN) is discussed with the ab initio molecular orbital met hod at the second-order Moller-Plesset perturbation level of theory. T he result explains why high-spin states are unstable in some hindered nitroxide di- and triradicals coupled through m-phenylene.