Literature DB >> 29622815

Spectroscopic Characterization of Key Aromatic Molecules: A Route toward The Origin of Life.

Cristina Puzzarini1, Alberto Baiardi2, Julien Bloino3, Vincenzo Barone2, Thomas E Murphy4, Dennis Drew5, Ashraf Ali5,6.   

Abstract

To gain information on the abiotic synthesis of the building blocks of life from simple molecules, and their subsequent chemical evolution to biological systems, the starting point is the identification of target species in Titan-like planets, i.e., planets that resemble the primitive Earth, as well as in Earth-like planets in the habitable zone of their star, namely planets where life can be already originated. In this scenario, molecular spectroscopy plays a crucial role because spectroscopic signatures are at the basis of an unequivocal proof for the presence of these target molecules. Thanks to the advances in many different techniques and to the NASA successful Kepler exoplanet transit mission, thousands of diverse planets outside of our solar system have been discovered. The James Webb Space Telescope (JWST), scheduled to be launched in 2018, will be very helpful in the identification of biosignature gases in Earth-like planets' atmospheres and of prebiotic molecule signatures in Titan-like atmospheres by observing their absorption during transits. While the search for key-target molecules in exoplanet atmospheres can be carried out by the JWST Transit Spectroscopy in the infrared (IR) region (0.6 - 29 µm wavelength range), opportunities for their detection in protostellar cores, protoplanetary disks and on Titan are also offered by the interferometric high spectral and spatial resolution observations using the Atacama Large Millimeter/submillimeter Array (ALMA). In the present work, target molecules have been selected and their spectroscopic characterization presented in view of supporting their infrared and complementary millimeter/submillimeter-wave spectral observations. In detail, the selected target molecules include: (1) the three-membered oxygen-containing heterocycles: oxirane and protonated oxirane, (2) the cyclopropenyl cation and its methyl derivative, (3) two examples of ortho- and peri-fused tri-cyclic aromatic rings, i.e., the phenalenyl cation (C13H9+) and anion (C13H9-), and (4) uracil, a specific RNA base.

Entities:  

Year:  2017        PMID: 29622815      PMCID: PMC5881883          DOI: 10.3847/1538-3881/aa7d54

Source DB:  PubMed          Journal:  Astron J        ISSN: 0004-6256            Impact factor:   6.263


  24 in total

1.  Highly accurate quartic force fields, vibrational frequencies, and spectroscopic constants for cyclic and linear C3H3(+).

Authors:  Xinchuan Huang; Peter R Taylor; Timothy J Lee
Journal:  J Phys Chem A       Date:  2011-04-21       Impact factor: 2.781

2.  Titan tholins: simulating Titan organic chemistry in the Cassini-Huygens era.

Authors:  Morgan L Cable; Sarah M Hörst; Robert Hodyss; Patricia M Beauchamp; Mark A Smith; Peter A Willis
Journal:  Chem Rev       Date:  2011-11-17       Impact factor: 60.622

3.  Basis-set extrapolation techniques for the accurate calculation of molecular equilibrium geometries using coupled-cluster theory.

Authors:  Miriam Heckert; Mihály Kállay; David P Tew; Wim Klopper; Jürgen Gauss
Journal:  J Chem Phys       Date:  2006-07-28       Impact factor: 3.488

4.  Rotational spectroscopy meets theory.

Authors:  Cristina Puzzarini
Journal:  Phys Chem Chem Phys       Date:  2013-03-13       Impact factor: 3.676

5.  Accurate Anharmonic Vibrational Frequencies for Uracil: The Performance of Composite Schemes and Hybrid CC/DFT Model.

Authors:  Cristina Puzzarini; Malgorzata Biczysko; Vincenzo Barone
Journal:  J Chem Theory Comput       Date:  2011-10-19       Impact factor: 6.006

6.  Thymine and other prebiotic molecules produced from the ultraviolet photo-irradiation of pyrimidine in simple astrophysical ice analogs.

Authors:  Christopher K Materese; Michel Nuevo; Partha P Bera; Timothy J Lee; Scott A Sandford
Journal:  Astrobiology       Date:  2013-10       Impact factor: 4.335

7.  Relevance and Significance of Extraterrestrial Abiological Hydrocarbon Chemistry.

Authors:  George A Olah; Thomas Mathew; G K Surya Prakash
Journal:  J Am Chem Soc       Date:  2016-05-20       Impact factor: 15.419

8.  ACCURATE SPECTROSCOPIC CHARACTERIZATION OF OXIRANE: A VALUABLE ROUTE TO ITS IDENTIFICATION IN TITAN'S ATMOSPHERE AND THE ASSIGNMENT OF UNIDENTIFIED INFRARED BANDS.

Authors:  Cristina Puzzarini; Malgorzata Biczysko; Julien Bloino; Vincenzo Barone
Journal:  Astrophys J       Date:  2014-04-20       Impact factor: 5.874

9.  Fully anharmonic IR and Raman spectra of medium-size molecular systems: accuracy and interpretation.

Authors:  Vincenzo Barone; Malgorzata Biczysko; Julien Bloino
Journal:  Phys Chem Chem Phys       Date:  2014-02-07       Impact factor: 3.676

10.  Generalized Vibrational Perturbation Theory for Rotovibrational Energies of Linear, Symmetric and Asymmetric Tops: Theory, Approximations, and Automated Approaches to Deal with Medium-to-Large Molecular Systems.

Authors:  Matteo Piccardo; Julien Bloino; Vincenzo Barone
Journal:  Int J Quantum Chem       Date:  2015-06-16       Impact factor: 2.444

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