Experimental support for a new structural hypothesis for carbyne

The authors use established data from quantum-chemical calculations for the electronic structure and energy state of carbynes derived by the LCAO method and an analysis of their own Auger spectra to experimentally verify these data and also to determine further parameters of the electronic structure of carbynes, such as valence zone structure, energy gap, and annealing effects on gap width. Three carbyne samples, prepared by different methods and having different crystallographic parameters, were assessed. X-ray and electron diffraction established the crystal properties of the samples