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EnglishA theoretical study of rotational profiles of molecular absorption bands is essential for direct comparison with observations of diffuse interstellar bands. Applications using a Gaussian quantum-chemical approach within density functional theory are presented. Structural and vibrational properties of the polycyclic aromatic hydrocarbon ovalene cation (C32H14+) are obtained. We discuss the expected profile of the first electronic transition of such molecule, obtained with a Monte Carlo model of its rotation in the physical conditions of low temperatures and absence of collisions which are characteristic of the interstellar medium.
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| Titolo: | Rotational profiles of molecular absorption bands in astrophysically relevant conditions |
| Autori: | |
| Data di pubblicazione: | 2004 |
| Rivista: | |
| Abstract: | A theoretical study of rotational profiles of molecular absorption bands is essential for direct comparison with observations of diffuse interstellar bands. Applications using a Gaussian quantum-chemical approach within density functional theory are presented. Structural and vibrational properties of the polycyclic aromatic hydrocarbon ovalene cation (C32H14+) are obtained. We discuss the expected profile of the first electronic transition of such molecule, obtained with a Monte Carlo model of its rotation in the physical conditions of low temperatures and absence of collisions which are characteristic of the interstellar medium. |
| Handle: | http://hdl.handle.net/11584/12981 |
| Tipologia: | 1.1 Articolo in rivista |
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