✦ LIBER ✦

Electronic structures and stability rules of tetrahedral fullerenes

✍ Scribed by Au Chin Tang; Fu Qiang Huang

Publisher: Elsevier Science
Year: 1996
Tongue: English
Weight: 647 KB
Volume: 258
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(96)00694-x

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✦ Synopsis

According to the topologies of tetrahedral (T, T d and T h) fullerenes, we have calculated the electronic structures of these molecules by means of our proposed method for Hiickel chemistry calculation. According to the number of carbon atoms, the tetrahedral fullerenes are divided into three classes: Class 1 with n = 12N, Class 2 with n = 12N+ 4 and Class 3 with n = 12 N + 8, where n is the number of carbon atoms and N is a non-negative integer determined by group properties. From the calculated results, we have found: the molecules of Class 1 are closed-shell, those of Class 2 are open shell and those of Class 3 are open shell or pseudo-closed shell.

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