PERIODIC FULLEROIDS

Abstract

Construction of periodic fulleroids (including covering polygons other than the classical pentagons and hexagons) is achieved by several coupling procedures. A constitutive typing enumeration for topologically periodic fulleroids is given. π-electronic periodicity of several series of tubulenes is rationalized in terms of some "rules of thumb". The strain energy of these nonplanar molecules was evaluated from the pyramidalization angles of the sp 2 carbon atoms by the POAV1 procedure. Semiempirical PM3 calculations support the presented spectral data.