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Title: Oxidation of carbynes: Signatures in infrared spectra

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{sup 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{sup 2} fragments, plus an oxidized sp{sup 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:
 [1] ;  [2] ; ; ;  [3] ;  [2] ; ;  [1] ;  [2] ;  [4]
  1. CIMAINA, University of Milan, Via Celoria 16, 20133 Milano (Italy)
  2. (Italy)
  3. European Theoretical Spectroscopy Facility (ETSF), Via Celoria 16, 20133 Milano (Italy)
  4. Zernike Institute for Advanced Materials, University of Groningen, Nijenborgh 4, 9747AG Groningen (Netherlands)
Publication Date:
OSTI Identifier:
22311392
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 140; Journal Issue: 24; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; CARBON SOURCES; CARBYNES; INFRARED SPECTRA; OXIDATION; SOLIDS; STABILITY