Group theoretical applications to icosahedral fullerenes

✍ Scribed by Au Chin Tang; Fu Qiang Huang

• Book ID: 103030676
• Publisher: Elsevier Science
• Year: 1995
• Tongue: English
• Weight: 321 KB
• Volume: 245
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(95)01052-b

✦ Synopsis

Two problems have been studied. First, by using the structural properties of representative patch chosen for an ieosahedral fullerene, the whole set of irreducible representations (IR) have been obtained for the 1r molecular orbitals of the fullerene. Secondly, on starting with the xr electronic energy levels of fullerenes Cn (I h, n = 60k 2) and C n (I h, n ---20k 2) calculated using the HUckel approximation, their parities have been determined with the aid of a table in which the decomposition of the spherical harmonics into the IR of the I h group have been listed.