DIHEDRAL FULLERENES - OPEN, CLOSED, AND PSEUDOCLOSED SHELL

摘要

Simple Huckel arguments find an open electronic shell for each D-5 cylindrical fullerene C-n(h, k; i, j) with h not equal k + 3m, a closed shell for one with h = k + 3m and j = i + 3q, and a pseudoclosed shell for one with h = k + 3m and j not equal i + 3q, where n = 10[h(2) + hk + k(2) + ih + j(h + k)] for a cylindrical fullerene with D-5 symmetry, where h, k, i, and j are integers satisfying certain restrictive conditions and m and q are non-negative integers. Further studies show that the other D-p(p > 5) fullerenes have the similar closed-shell rules. (C) 1997 John Wiley & Sons, Inc. [References: 27]