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Electron Transfer in Trimetal Nitride Metallofullerenes

Two classes of trimetal nitride metallofullerenes, Sc3N@C n (n=68, 78) and MxSc3-xN@C80 (x=0-2), are investigated by Density Functional Theory with respect to their electronic properties and related geometric, energetic, and magnetic features. The substantial electron transfer from the metallic core to the fullerene cage makes these systems promising candidates for nonlinear optical devices. Pronounced magnetic effects associated with complexes that enclose lanthanide constituents suggest their suitability as contrast agents in biomedical imaging.

Identiferoai:union.ndltd.org:ETSU/oai:dc.etsu.edu:etsu-works-18371
Date01 December 2009
CreatorsHagelberg, Frank, Wu, Jianhua
PublisherDigital Commons @ East Tennessee State University
Source SetsEast Tennessee State University
Detected LanguageEnglish
Typetext
SourceETSU Faculty Works

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