| Name: | Anshika Pandey |
| Affiliation: | Banaras Hindu University |
| Conference ID : | ASI2024_261 |
| Title : | Theoretical investigation of 3-Pyrroline in interstellar environments. |
| Authors : | Anshika Pandey1, Akant Vats1, Satyam Srivastav1, Amit Pathak1 and K. A. P. Singh1 |
| Authors Affiliation: | 1 Anshika Pandey, Akant Vats, Satyam Srivastav, Amit Pathak, and K. A. P. Singh Affiliation (Department of Physics, Institute Of Science, Banaras Hindu University, Varanasi, 221005) |
| Mode of Presentation: | Poster |
| Abstract Category : | Stars, Interstellar Medium, and Astrochemistry in Milky Way |
| Abstract : | The discovery of the first branched alkyl molecule, iso-propyl cyanide (i-C3H7CN or i-PrCN), in high-mass star-forming regions, such as Sagittarius B2(N) and Orion, strengthens the connection between the interstellar medium (ISM) and meteorites, which are known for containing N-heterocycles. These molecules are precursors of biologically relevant prebiotic molecules—the
building blocks of life. 3-Pyrroline; a five-membered N-heterocycle stands as a stable ring isomer of i-PrCN. In this light, the present work reports a probable formation route of 3-pyrroline along with its rotational spectra in dense molecular clouds. Density functional theory (DFT) calculations are utilized to determine spectroscopic and thermodynamic parameters and to simulate rotational spectra, including hyperfine splitting. The radiative transfer modeling of 3-pyrroline has also been performed in Sagittarius B2(N), assuming local thermodynamic equilibrium (LTE). Results suggest that exploring 3-pyrroline within colder regions of the ISM could benefit the V band (40–75 GHz), whereas in the warmer parts, the millimeter band is a more favorable choice. The precise rotational data presented herein could serve as a valuable reference for conducting laboratory experiments and carrying out astronomical investigations. |
