Powered by OpenAIRE graph
Found an issue? Give us feedback
image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/ Recolector de Cienci...arrow_drop_down
image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
DIGITAL.CSIC
Conference object . 2017 . Peer-reviewed
Data sources: DIGITAL.CSIC
versions View all 3 versions
addClaim

Structure and Spectra of Hydrogenated Amorphous Carbon: A DFT comparison between proposed models.

Authors: Molpeceres, Germán; Timón, Vicente; Jiménez-Redondo, Miguel; Moreno, Miguel Ángel; Herrero, Víctor J.; Escribano, Rafael; Maté, Belén; +1 Authors

Structure and Spectra of Hydrogenated Amorphous Carbon: A DFT comparison between proposed models.

Abstract

Carbon containing grains are widespread in the ISM and in Carbon-rich stars. Observational data are taken mainly in the IR region both in emission and in absorption. Characteristic signature of these species can be found in the 3.4 m absorption band. This band is associated with carbon hydrogen stretchings of both –CH3 and –CH2 subunits. CH aromatic stretching are also found in the near 3.3 m band. Along with that, bending vibrations of the aforementioned subunits are found in the region from 8 to 6 m, also in the region where we could find vibrations from other functional groups, like olefinic ones. More complex torsions and other vibrations can be found below the 10 m region. The present work is devoted to the study of the structure of two of the main HAC frameworks : one formed by small aromatic rings connected by aliphatic chains (RC=rings and chains) proposed by Dartois and coworkers [1] and the other with a graphitic like backbone with aliphatic substituents in the edges of the structure, as can be seen in the work by Steglich and coworkers [2] (SG = substituted graphite). Both proposals can be found in Figure 1. Along with the study of the structure, the study of the infrared spectra can help to elucidate the nature of the ISM observations.

This work has been funded by the MINECO of Spain under grant FIS2013-48087-C2-1P and by European project ERC-2013-Syg 610256. G.M acknowledges MINECO PhD grant BES-2014-069355

A LABoratory spectroscopy workshop for ASTROphysics Workshop-Summer School, Jaca, Spain, 27-30 June 2016 ; http://www.iem.csic.es/fismol/Alabastro/

Peer Reviewed

Country
Spain
Related Organizations
  • BIP!
    Impact byBIP!
    selected citations
    These citations are derived from selected sources.
    This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
    0
    popularity
    This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
    Average
    influence
    This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
    Average
    impulse
    This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
    Average
Powered by OpenAIRE graph
Found an issue? Give us feedback
selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
0
Average
Average
Average
Green