Journal of Physical Chemistry A, Vol.101, No.16, 2973-2978, 1997
Spin Coupling in Nonconjugated Organic Radicals
Spin interactions in nonconjugated organic multiradical systems are analyzed using semiempirical quantum chemical computations. Implications of these results for an appraisal of the ferrocarbon model for organic ferromagnets are discussed.
Keywords:NON-KEKULE MOLECULES;GROUND-STATE SPIN;RESONANCE DETECTION;MAGNETIC-PROPERTIES;DIRADICALS;MODEL;HYDROCARBONS;FERROMAGNET;POLYRADICALS;EXTENSION