title: Oxidation of carbynes: signatures in infrared spectra.
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.
authors.affiliation: CIMAINA, University of Milan, Via Celoria 16, 20133 Milano, Italy.
authors.forename: E
authors.initials: E
authors.lastname: Cinquanta
authors.affiliation: European Theoretical Spectroscopy Facility (ETSF), Via Celoria 16, 20133 Milano, Italy.
authors.forename: N
authors.initials: N
authors.lastname: Manini
authors.affiliation: CIMAINA, University of Milan, Via Celoria 16, 20133 Milano, Italy.
authors.forename: L
authors.initials: L
authors.lastname: Ravagnan
authors.affiliation: European Theoretical Spectroscopy Facility (ETSF), Via Celoria 16, 20133 Milano, Italy.
authors.forename: L
authors.initials: L
authors.lastname: Caramella
authors.affiliation: European Theoretical Spectroscopy Facility (ETSF), Via Celoria 16, 20133 Milano, Italy.
authors.forename: G
authors.initials: G
authors.lastname: Onida
authors.affiliation: CIMAINA, University of Milan, Via Celoria 16, 20133 Milano, Italy.
authors.forename: P
authors.initials: P
authors.lastname: Milani
authors.affiliation: Zernike Institute for Advanced Materials, University of Groningen, Nijenborgh 4, 9747AG Groningen, The Netherlands.
authors.forename: P
authors.initials: P
authors.lastname: Rudolf