Abstract :
Summary form only given. The electronic structures of the C/sub 60/, (H/sub 3/P)/sub 2/Pt(/spl eta//sup 2/-C/sub 2/H/sub 4/) and (H/sub 3/P)/sub 2/Pt(/spl eta//sup 2/-C/sub 60/) are calculated by using the EHT-MO method with the fragment analysis. We have modified the EHT parameters so as to yield the energy level correlation and optical transition gap for the previous theoretical results of C/sub 60/. In Pt-derivatives, our FMO results with the modified parameters show that the carbon-carbon double bonds of C/sub 60/ and ethene react like those of electron-poor arenes and alkenes, and also that C/sub 60/ is more electron-susceptive than C/sub 2/H/sub 4/.
