Files in this item



application/pdfFH07_5323.pdf (593kB)


application/pdf5323.pdf (15kB)


Title:Computational Spectroscopic Signatures Of Proteinogenic Glutamic Acid And Its Isomeric Species Of Astrophysical Importance
Author(s):Namrata Rani, Vikas
Subject(s):Mini-symposium: Spectroscopy with Undergraduates
Abstract:The interstellar medium (ISM) is abundant in diverse network of molecules from simple diatomic to interstellar complex organic molecules (COMs). There have been continuous growing attempts to search the molecules of biotic potential such as proteinogenic amino acids. Notably, the amino acids are confirmed in meteoritic composition with considerable enantiomeric excess. Such large sized molecular species in ISM are investigated via their rotational and vibrational spectroscopic traits. Towards this our group performed the computational quantum-mechanical calculations of rotational and vibrational parameters of Glutamic acid and its isomeric species proposed along its stereoinversion pathways in gas phase under conditions akin to the ISM. DFT and MP2 methods are employed in anharmonic calculations utilizing vibrational second order perturbation theory to predict the rotational and vibrational transitions, particularly in millimetre (mm), sub-mm, mid- and far-infrared regions. The varied isomeric species studied, including zwitterionic ammonium ylide, di-carboxylic acid, gem-diol, vicinal-diol and imine can act as a significant aid for the search of Glutamic acid and its isomers in the ISM.\footnote{Reference: Rani, N.;, Vikas. J. Mol. Spectrosc. 2020, 369, 111271(1-9).}
Issue Date:2021-06-25
Publisher:International Symposium on Molecular Spectroscopy
Genre:Conference Paper / Presentation
Date Available in IDEALS:2021-09-24

This item appears in the following Collection(s)

Item Statistics