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Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 16, Number 8
BKCSDE 16(8)
August 20, 1995 

MO Studies on Palladium(0)-Derivatives of Buckminsterfullerene(C60)
Kee Hag Lee*, Han Myoung Lee, Wang Ro Lee
The electronic structures of (H3P)2Pd(η2-C2H4) and (H3P)2Pd(η2-C60) are calculated by using the EHMO method with modified EH parameters. Our results for Pd-derivatives show that the carbon-carbon double bonds of C60 and ethene react like those of electron-poor arenes and alkenes, which are analogous with the previous results for Pt-derivatives. In Pd-C60 derivative the electronic charge transferred from filled palladium d-orbital is localized at the two carbon atoms of the double bond to which Pd-ligand is attached.
704 - 709
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