Abstract Details
| Name: Anju Maurya Affiliation: DDU Gorakhpur University, Gorakhpur Conference ID: ASI2019_431 Title : Study of nitrile substituted PAHs in relation to mid-infrared emission bands Authors and Co-Authors : Anju Maurya, Shantanu Rastogi Abstract Type : Oral Abstract Category : Stars, ISM and Galaxy Abstract : Polycyclic aromatic hydrocarbons (PAHs) are thought to be widespread throughout the universe, because these molecules are probably responsible for the observed aromatic infrared bands (AIBs). AIBs are a set of emission features seen in numerous galactic and extragalactic sources in mid-infrared at 3.3, 6.2, 7.7, 8.6, 11.2 and 12.7 µm. The profile variation in these features points towards the presence of variety of PAHs in different astrophysical environments. To understand the population of PAHs in different objects, emission modeling is done using plane PAHs. In the absence of simultaneous matching of all AIBs, it is essential to consider a wider set of PAHs in emission models. Studies on substituted PAHs, hydrogenated ones, and PAHs with nitrogen heterocycles have been reported with none or partial success. The discovery of benzonitrile (c-C6H5CN), the simplest nitrogen-bearing aromatic molecule, in the interstellar medium, in TMC-1 (Tarus Molecular Clouds) points towards the presence of PAHs with nitrile side-group in astrophysical environments. In the present work vibrational study of nitrile-PAHs is done using DFT methods. The effect of nitrile substitution on the vibrational bands of parent molecule is studied. Attempt is made to identify any correlation with the observed AIBs. |