Diphenylmethane fulleroid C73H10 is studied by means of the AM1 quantum-chemical method. Full geometry optimization of its C2vstructure is performed together with vibrational harmonic analysis. The computed length of the C-C bond between two cage-hexagons bridged by the tetrahedral C atom is 1.565 A. Vibrational frequencies with a substantial IR intensity are reported.
ASJC Scopus subject areas
- Chemical Engineering(all)