Oxidation of carbynes: signatures in infrared spectra

J Chem Phys. 2014 Jun 28;140(24):244708. doi: 10.1063/1.4884645.

Abstract

We report and solidly interpret the infrared spectrum of both pristine and oxidized carbynes embedded in a pure-carbon matrix. The spectra probe separately the effects of oxidation on sp- and on sp(2)-hybridized carbon, and provide information on the stability of the different structures in an oxidizing atmosphere. The final products are mostly short end-oxidized carbynes anchored with a double bond to sp(2) fragments, plus an oxidized sp(2) amorphous matrix. Our results have important implications for the realization of carbyne-based nano-electronics devices and highlight the active participation of carbynes in astrochemical reactions where they act as carbon source for the promotion of more complex organic species.