Abstract Details
| Name: SHIVANI MISHRA Affiliation: BANARAS HINDU UNIVERSITY Conference ID: ASI2025_117 Title : Rotational and vibrational investigation of substituted PAH clusters Authors and Co-Authors : Shivani Mishra 1, Amit Pathak 1 Abstract Type : Poster Abstract Category : Stars, Interstellar Medium, and Astrochemistry in Milky Way Abstract : Several astronomical objects within the Milky Way and in external galaxies exhibit mid-infrared spectra characterized by prominent features at 3.3, 6.2, 7.7, 8.6, and 11.2 μm, collectively known as the unidentified infrared (UIR) bands. These emission features align closely with the vibrational modes of polycyclic aromatic hydrocarbon (PAH) molecules, as shown by Tielens (2008). To fully understand the origins and characteristics of the UIR bands, it is crucial to obtain comprehensive spectroscopic data on a range of PAH species, including pure PAHs, ionized PAHs, functionalized PAHs, and PAH clusters. Given the limited existing data on these clusters, the present work focuses on the investigation of the vibrational and rotational spectra of functionalized PAH clusters containing oxygen and nitrogen groups. We aim to explore how the introduction of various functional groups affects the spectral characteristics and stability of PAH clusters. Advanced computational methods will be employed to generate and analyze the infrared (IR) and microwave spectra of these functionalized PAH clusters, with the computed spectra being compared to observational data from astronomical sources. |