Geometries, Electronic Structures, Bonding Properties, and Stability Strategy of Endohedral Metallofullerenes TM@C<sub>28</sub> (TM = Sc<sup>−</sup>, Y<sup>−</sup>, La<sup>−</sup>, Ti, Zr, Hf, V<sup>+</sup>, Nb<sup>+</sup>, Ta<sup>+</sup>)

Geometries, Electronic Structures, Bonding Properties, and Stability Strategy of Endohedral Metallofullerenes TM@C<sub>28</sub> (TM = Sc<sup>−</sup>, Y<sup>−</sup>, La<sup>−</sup>, Ti, Zr, Hf, V<sup>+</sup>, Nb<sup>+</sup>, Ta<sup>+</sup>)

We performed quantum chemical calculations on the geometries, electronic structures, bonding properties, and stability strategy of endohedral metallofullerenes TM@C<sub>28</sub> (TM = Sc<sup>−</sup>, Y<sup>−</sup>, La<sup>−</sup>, Ti, Zr, Hf, V<sup&...

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Bibliographic Details
Main Authors: Dong Liu, Yuan Shui, Tao Yang
Format: Article
Language:English
Published: MDPI AG 2024-01-01
Series:Inorganics
Subjects:
fullerenes
quantum-chemical calculations
chemical bonding
stability
Online Access:https://www.mdpi.com/2304-6740/12/2/40

Internet

https://www.mdpi.com/2304-6740/12/2/40

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