Computing Group Theory and Character Table of Non Rigid Tetraphenylporphyrin H2(TPP) and Metalloporphyrin MII(TPP)

Abstract

The studies on symmetry of Metalloporphyrins are very important due to better understanding of their spectra. Also, the non rigid molecule group theory, in which the dynamical symmetry operations are defined as physical operations, is a new field of chemistry. In this paper, by a simple method, we calculate character table for symmetry group of non rigid porphyrin molecule consisting of four phenyl groups attached to a rigid framework. We apply the group theory package, GAP, to compute the symmetry of Tetraphenylporphyrin, H2(TPP), and Metalloporphyrin, MII(TPP), with symmetry groups D2h and D4h, respectively. We prove that the full non rigid of these molecules are seen be the group of order 64 which has 16 conjugacy classes and order 128 which has 20 conjugacy classes, respectively.