Electronic structures of endohedral fullerenes

Conference · Sat Dec 31 04:00:00 EST 1994

OSTI ID:61924

Jin, Changming; Hettich, R L; Puretzky, A A; Ying, Z C; Haufler, R E; Compton, R N ^[1]

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1. Oak Ridge National Lab., TN (United States)

Fullerenes with different elements trapped inside the cage have been the subject of active research both experimentally and theoretically ever since the initial discovery of C{sub 60}. La@C{sub n}, were the first endohedral fullerenes produced both in gas phase and in macroscopic quantities. Early electron spin resonance investigation of La@C{sub 82} by R.D. Johnson, et.al indicated that La transfer nearly all of the three valence electrons to the fullerene cage, forming a La{sup 3+}@C{sub 82}{sup 3-} complex. Theoretical calculations also have shown that La transfers its valence electrons to the fullerene cage in molecules of La@C{sub n}. Investigations with ultraviolet photoelectron spectroscopy by L. Wang, et.al. indicated that attaching a potassium atom outside the C{sub 60} cage lowers the electron affinity (EA) while trapping Ca atom inside the C{sub 60} sphere increases the EA compared with parent C{sub 60} molecule. These results indicate that metallofullerenes appear to have substantially lower ionization potentials (IP) and higher EA than empty fullerenes.

• DOE Contract Number: AC05-84OR21400
• OSTI ID: 61924
• Report Number(s): CONF-9405234--
• Country of Publication: United States
• Language: English

Related Subjects

40 CHEMISTRY
AFFINITY
ARGON COMPOUNDS
ELECTRONIC STRUCTURE
FULLERENES
IONIZATION POTENTIAL
LANTHANUM COMPOUNDS
MASS SPECTROSCOPY