ELECTRONIC-STRUCTURES OF FULLERENES C-N WITH I-H SYMMETRY AND N=20K(2)

There are two classes of fullerenes with I-h symmetry, one with n = 60 k(2) and the other with n = 20k(2), where n is the number of carbon at oms and k is any positive integer. Actually, the second class n = 20k( 2) can be further divided into three types: n = 20(3m+1)(2), n = 20(3m +2)(2), and n = 20(3m+3)(2), where m is any non-negative integer. We h ave proposed a method for Huckel theory calculations that is based on combining the topology of fullerenes and the irreducible representatio n matrices as the elements of the secular equations. The method has be en used to calculate the electronic structures of fullerenes C-n (I-h, n = 60k(2)) with the values of k from 1, 2, up to 25 in our previous papers. In this article this method has been further extended with som e computational alterations to calculate the pi electronic energy leve ls of fullerenes C-n, [I-h, n = 20(3m+1)(2), n = 20(3m+2)(2), and n = 20(3m+3)(2)] with the values of m from 0, 1 up to 12. From the calcula ted results of the 39 fullerene molecules certain general rules on the stability and chemical reactivity have been drawn for the three types of fullerenes.