Abstract. 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 and 16.4 microns that are ubiquitously observed in diverse astrophysical objects. There are variations in the profile of these emission features between sources ranging from star forming regions to late type stars and also extra galactic sources. The profile variations point towards the presence of a variety of PAHs in different population in different objects. In order to simulate the emission spectra from different sources the vibrational spectra of a wide variety of PAH molecules have been studied. The modeled emission spectra gives good match for some bands but simultaneous fit for all features is not obtained. In particular the 6.2 micron feature, assigned to C-C stretch mode, is not fitted well. We therefore also study PAHs with vinyl side groups. Quantum chemical calculations using DFT/B3LYP in conjugation with optimum basis are performed to obtain the IR spectra of vinyl PAHs. Modeling of emission is done assuming excitation by a UV photon and cascade emission through vibrational levels that are obtained theoretically. It is expected that due to the presence of C = C in vinyl group the aromatic C-C might shift closer to 6.2 micron. A closer match with the observed spectra will provide a better insight about the physical conditions and molecular evolution in the object.