Issue 35, 2005
From the journal:

Chemical Communications

Ti2C80 is more likely a titanium carbide endohedral metallofullerene (Ti2C2)@C78†

Kai Tana  and  Xin Lu*a  

* Corresponding authors

a State Key Laboratory for Physical Chemistry of Solid Surfaces & Center for Theoretical Chemistry, School of Chemistry & Chemical Engineering, Xiamen University, Xiamen, China
E-mail: xinlu@xmu.edu.cn
Fax: 86 592 2183047
Tel: 86 592 2181600

Abstract

We show by means of density functional calculations that the previously synthesized metallofullerene Ti2C80 does not take the form of Ti2@C80, but is a titanium carbide endohedral metallofullerene, Ti2C2@C78, that has a C786−(D3h) cage which follows faithfully the stable closed-shell electronic rule.

Graphical abstract: Ti2C80 is more likely a titanium carbide endohedral metallofullerene (Ti2C2)@C78

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Article information

DOI
https://doi.org/10.1039/B507855E
Article type
Communication
Submitted
03 Jun 2005
Accepted
07 Jul 2005
First published
29 Jul 2005

Chem. Commun., 2005, 4444-4446

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Ti2C80 is more likely a titanium carbide endohedral metallofullerene (Ti2C2)@C78

K. Tan and X. Lu, Chem. Commun., 2005, 4444 DOI: 10.1039/B507855E

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