Computational Spectroscopic Signatures Of Proteinogenic Glutamic Acid And Its Isomeric Species Of Astrophysical Importance

Namrata Rani, Vikas

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https://hdl.handle.net/2142/111156 Copy

Description

Title

Computational Spectroscopic Signatures Of Proteinogenic Glutamic Acid And Its Isomeric Species Of Astrophysical Importance

Author(s)

Namrata Rani, Vikas

Issue Date

2021-06-25

Keyword(s)

Mini-symposium: Spectroscopy with Undergraduates

Date of Ingest

• 2021-09-24T21:09:08Z
• 2022-01-21T16:10:32Z

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).}

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

Text

Genre of Resource

Conference Paper / Presentation

Language

eng

Permalink

http://hdl.handle.net/2142/111156

DOI

10.15278/isms.2021.FH07

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