Simulated rotational band contours of C60 and their comparison with some of the diffuse interstellar bands

Details Simulated rotational band contours of C60 and their comparison with some of the diffuse interstellar bands Simulated rotational band contours of C60 and their comparison with some of the diffuse interstellar bands

May 1993

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1993a%26a...272..533e&link_type=abstract

Astronomy and Astrophysics, Vol. 272, p. 533 (1993)

Astronomy and Astrophysics

Astrophysics

22

Line: Profiles, Molecular Data Interstellar Medium: Molecules

Scientific paper

Rotational band contours of some predicted electronic spectra of the icosahedral molecule C60 have been calculated. Reasonable molecular constants have been obtained from the experimentally measured geometry of the molecule in the ground electronic state and some assumed geometries for the excited state. The contours are calculated at a range of temperatures corresponding to those which might be expected in the interstellar medium under various conditions. The simulated contours are compared to the observed spectra of the unassigned diffuse interstellar bands, which are seen in the absorption spectra of various stars. We conclude that, for rotational temperatures above 100 K, the simulated profiles can reproduce the form and peak width of some of the interstellar absorption bands, but note that the published low resolution ultraviolet and visible spectra of C60 do not reveal peaks corresponding to any of the major diffuse interstellar bands (DIBs). Our simulations can also be extended to a more general C60 species and we suggest that until more laboratory spectra of the parent molecule and its ions are obtained, polyhedral carbon species cannot be ruled out as carriers of some of the DIBs.

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