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Endohedral Metallofullerene M2@C80: A New Class of Magnetic Superhalogen by Yuhang Jiang; Zisheng Li; Jinying Zhang; Zhiyong Wang is a Materials Science article available to read on EtoBox.

What is Endohedral Metallofullerene M2@C80: A New Class of Magnetic Superhalogen about?

Superhalogen is a special class of atomic cluster whose electron affinity is larger than that of chlorine atom which has the largest electron affinity in the periodic table of elements. In this paper, we report the fabrication of a new class of magnetic superhalogen by encapsulating two rare-earth metal atoms into the I h symmetrical C 80 fullerene. The as-produced metallofullerene has an electronic configuration of M 5+ 2 @C 5- 80 . The adding of an extra electron to the molecule leads to the formation of a highly stable structure M 5+ 2 @C 6- 80 . Density functional theory calculations reveal that M 2 @C 80 has a larger electron affinity than the chlorine atom. Thus M 2 @C 80 can be classified as superhalogen. The magnetic properties of the M 2 @C 80 superhalogens are associated with the single-electron metal-metal molecular orbital and the partially filled f electron shell of the metal atoms. Electron spin resonance measurement discloses the paramagnetic character of Y 2 @C - 80 and the strong coupling effect between the unpaired electron and the Y nuclei. The outer fullerene cage provides a suitable environment for protecting the unconventional valence and spin states of the in

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Author

Yuhang Jiang; Zisheng Li; Jinying Zhang; Zhiyong Wang

Publisher

American Chemical Society; American Chemical Society (ACS) (ISSN 1932-7447)

Published

2019

Language

EN

Field

Materials Science (Physical Sciences)