Modelling interstellar organics: relevance for the identification of unidentified interstellar features

Statistics – Computation

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Astrochemistry, Line: Identification, Line: Profiles, Molecular Processes, Ism: Lines And Bands, Ism: Molecules, (Ism:) Dust, Extinction, Methods: Numerical, Radiation Mechanisms: General, Radiative Transfer, Scattering

Scientific paper

This thesis is part of the research activity of the Astrochemistry Group of the Cagliari Astronomical Observatory and the Physics Department at the University of Cagliari. The subjects of this work are two specific astrophysical problems concerning the Interstellar Medium (ISM) analysis: 1) the identification of Diffuse Interstellar Bands (DIBs) - Unidentified Infrared Bands (UIBs); 2) the identification of the Extended Red Emission (ERE).
A new theoretical approach to the spectroscopic identification of these specific Unidentified Interstellar Features is presented.Concerning the DIBs-UIBs, this work is an extension of a computational Monte-Carlo model developed in the past few years by our group (Mulas G. A&A 1998,338,243) with the aim to integrate quantum-chemical ab initio tecnhiques in it and thus produce a self-contained molecular simulator. Concerning ERE, a general recipe is developed in order to extrapolate the expected photoluminescence of small particles starting from available laboratory results obtained on bulk samples.
All the numerical results were obtained for interstellar carbonaceous compounds, hence the title ``Modelling interstellar organics'' given to the thesis. In particular, a specific molecule belonging to the class of polycyclic aromatic hydrocarbons (PAHs) is chosen as a test case to discuss the PAHs-DIBs-UIBs proposal, while the optical properties of laboratory samples of hydrogenated amorphous carbon (HAC) are used to obtain numerical results to be compared with luminescence phenomena such as ERE originating from some solid component of the ISM.
The introductive chapter is intended to introduce the unfamiliar reader to the specific topic under study, and a short overview of the scientific scenario involved is given. Then, Part I and II discuss separately the two models above and represent the body of the work; each chapter follows a standard article format: introduction, theoretical method, numerical results, discussion and astrophysical implications. The thesis ends with two appendixes for each part, containing all the more cumbersome material, consisting of analytical derivations, technical details, long tables etc., which may be useful for reference but would hinder the readability of Parts I and II.

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