Founded in 1993
  Year: 1997 | Volume: 5 | Issue: 3 | Pages: 151-154
  Original Article
  Background: Fullerenes can form three distinct types of binding sites: surface, substitutional and endohedral. Numerous metallofullerenes have been synthesized by the inclusion of metal sources in the graphite used for fullerene generation, and several noble gasses and small atoms have also been implanted with ion beam collision experiments.
Methods: Theoretical calculations has been done by HyperChem 4.5 software computational program using ZINDO/1 method. For experimental research Bucky System 2 fullerenes production system (MER Corporation, Tucson, Arizona) has been used.
Results: According to our calculation, value of HOMO-LUMO gep, for Ca@C60, is 0.11816 eV, and for Cu@C60 is 5.255 eV. Total charge density of endohedral complex Cu@C60 is under 3/2 mode arranged.
Conclusion: According to this consideration, copper which is incorporated in C60 will have more important rule in living organism than endohedral Ca@C60 complex. Because of their structural, electronic and chemical properties endohedral complexes X@C60 can be applied in different fields of material science, chemistry, biomedicine and engineering.
  Key words: Molecule C60; Clathrin; Calcium; Copper; Charge density; Endohedral complex; Water clusters
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Founder, owner and publisher: Oncology Institute of Vojvodina, Serbia
Online since 1997 (Abstracts only); 2000 (Abstracts and Full text)
ISSN: 0354-7310 eISSN: 1450-9520