Theoretical studies on the characterization of classical and non-classical C₆₈ isomers and their newly synthesized derivatives by spectroscopy

Abstract

X-ray photoelectron spectroscopy (XPS) and near-edge X-ray absorption fine structure (NEXAFS) spectra, as well as the ground-state electronic/geometrical structures of the unparalleled non-classical(NC) isomer C1-C68(NC3) and the chlorinated derivative C1-C68(NC3)Cl28...