2024-03-28T08:36:12Zhttp://digital.csic.es/dspace-oai/requestoai:digital.csic.es:10261/1553792021-06-07T09:16:53Zcom_10261_135com_10261_4col_10261_514
DIGITAL.CSIC
author
Molpeceres, Germán
author
Timón, Vicente
author
Jiménez-Redondo, Miguel
author
Moreno, Miguel Ángel
author
Herrero, Víctor J.
author
Escribano, Rafael
author
Maté, Belén
author
Tanarro, Isabel
funder
Ministerio de Economía y Competitividad (España)
funder
European Commission
2017-09-20T14:10:10Z
2017-09-20T14:10:10Z
2016-06-27
ALABASTRO (2016)
http://hdl.handle.net/10261/155379
http://dx.doi.org/10.13039/501100003329http://dx.doi.org/10.13039/501100000780
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.
eng
openAccess
Structure and Spectra of Hydrogenated Amorphous Carbon: A DFT comparison between proposed models.
póster de congreso
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URL
https://digital.csic.es/bitstream/10261/155379/1/Structure.pdf
File
MD5
c1d6a3501aae802a8d1b1f5c566716d6
135351
application/octet-stream
Structure.pdf