Poster

Computational IR Spectra of PAHs with Multiple Vinyl Side Groups

Anju Maurya, Shantanu Rastogi (DDU Gorakhpur University)

Polycyclic Aromatic Hydrocarbon (PAH) molecules are source of the infrared emission features at 3.3, 6.2, 7.7, 8.6, 11.2, 12.7 & 16.4 microns that are ubiquitously observed in diverse astrophysical objects. The variations in the profile of these emission features from source to source point towards the presence of different PAH populations in different objects. To understand the emission spectra from different sources, vibrational information of a wide variety of PAH molecules need to be studied. Plane PAHs give a good general match with the observed bands but simultaneous profile fit for all the bands is not obtained. Study of PAHs with side groups, in particular with vinyl side groups, is performed. Effect of the side group position, length and size on the PAH infrared spectra is studied. A closer match with the observed features will give insight into the chemical evolution of PAHs in space.

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