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Nadia Balucani  - - - 
Top co-authors See all
Moshe Y. Vardi

161454 shared publications

Claudio Codella

153 shared publications

INAF-Osservatorio Astrofisico di Arcetri, Largo E. Fermi 5, I-50125, Florence, Italy

Marzio Rosi

147 shared publications

University of Perugia

Cecilia Ceccarelli

96 shared publications

Univ. Grenoble Alpes, CNRS, IPAG, F-38000 Grenoble, France

Stefano Falcinelli

70 shared publications

Publication Record
Distribution of Articles published per year 
(1993 - 2018)
Total number of journals
published in
Publications See all
Article 0 Reads 1 Citation Possible scenarios for SiS formation in the interstellar medium: Electronic structure calculations of the potential ener... Marzio Rosi, Luca Mancini, Dimitrios Skouteris, Cecilia Cecc... Published: 01 March 2018
Chemical Physics Letters, doi: 10.1016/j.cplett.2018.01.053
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In this Letter we report on the first characterization of the reactions SiH + S and SiH + S2 by means of electronic structure calculations of the stationary points along the reactive potential energy surfaces. According to our calculations, both reactions are barrierless and can lead to the formation of SiS (a species observed in interstellar objects) for which there are no convincing formation routes in current astrochemical models. Furthermore, we have verified that SiS2 cannot be considered an interstellar reservoir of sulphur because it is easily attacked by the abundant H atoms.
Article 0 Reads 1 Citation The Genealogical Tree of Ethanol: Gas-phase Formation of Glycolaldehyde, Acetic Acid, and Formic Acid Dimitrios Skouteris, Nadia Balucani, Cecilia Ceccarelli, Fan... Published: 20 February 2018
The Astrophysical Journal, doi: 10.3847/1538-4357/aaa41e
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Despite the harsh conditions of the interstellar medium, chemistry thrives in it, especially in star-forming regions where several interstellar complex organic molecules (iCOMs) have been detected. Yet, how these species are synthesized is a mystery. The majority of current models claim that this happens on interstellar grain surfaces. Nevertheless, evidence is mounting that neutral gas-phase chemistry plays an important role. In this paper, we propose a new scheme for the gas-phase synthesis of glycolaldehyde, a species with a prebiotic potential and for which no gas-phase formation route was previously known. In the proposed scheme, the ancestor is ethanol and the glycolaldehyde sister species are acetic acid (another iCOM with unknown gas-phase formation routes) and formic acid. For the reactions of the new scheme with no available data, we have performed electronic structure and kinetics calculations deriving rate coefficients and branching ratios. Furthermore, after a careful review of the chemistry literature, we revised the available chemical networks, adding and correcting several reactions related to glycolaldehyde, acetic acid, and formic acid. The new chemical network has been used in an astrochemical model to predict the abundance of glycolaldehyde, acetic acid, and formic acid. The predicted abundance of glycolaldehyde depends on the ethanol abundance in the gas phase and is in excellent agreement with the measured one in hot corinos and shock sites. Our new model overpredicts the abundance of acetic acid and formic acid by about a factor of 10, which might imply a yet incomplete reaction network.
BOOK-CHAPTER 0 Reads 0 Citations A Theoretical Investigation of the Reaction N(2D) + C6H6 and Implications for the Upper Atmosphere of Titan Nadia Balucani, Leonardo Pacifici, Dimitrios Skouteris, Adri... Published: 01 January 2018
Lecture Notes in Computer Science, doi: 10.1007/978-3-319-95165-2_53
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The reaction between nitrogen atoms in their first electronically excited state 2D with benzene has been characterized by electronic structure calculations of the stationary points along the minimum energy path. According to this study, there are six open channels leading to C6H5N (phenylnitrene) + H, C6H4 + NH2, C5H5 (cyclopentadienyl) + HNC, C5H5CN + H, C5H4 + HCNH and C5H5N (pyridine) + CH. There is no barrier in the entrance channel, so that the N(2D) + C6H6 reaction is expected to be very fast also under the low temperature conditions of Titan, the massive moon of Saturn. The possible impact of the title reaction in the chemistry of the upper atmosphere of Titan, where benzene is present and atomic nitrogen in 2D state can be efficiently produced by a series of high-energy processes, is also discussed.
Conference 5 Reads 0 Citations The Role of Molecular Dications in Planetary Atmospheric Escape Stefano Falcinelli, Fernando Pirani, Michele Alagia, Luca Sc... Published: 16 July 2016
The 1st International Electronic Conference on Atmospheric Sciences, doi: 10.3390/ecas2016-b004
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BOOK-CHAPTER 0 Reads 0 Citations Nitrile Piergiorgio Casavecchia, Nadia Balucani Published: 01 January 2014
Encyclopedia of Astrobiology, doi: 10.1007/978-3-642-27833-4_1060-2
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BOOK-CHAPTER 0 Reads 2 Citations Nitrogen Fixation by Photochemistry in the Atmosphere of Titan and Implications for Prebiotic Chemistry Nadia Balucani Published: 01 January 2013
Astrophysics and Space Science Proceedings, doi: 10.1007/978-1-4614-5191-4_12
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The observation of N-containing organic molecules and the composition of the haze aerosols, as determined by the Aerosol Collector and Pyrolyser (ACP) on-board Huygens, are clear indications that some chemistry involving nitrogen active forms and hydrocarbons is operative in the upper atmosphere of Titan. Neutral-neutral reactions involving the first electronically excited state of atomic nitrogen, N(2D), and small hydrocarbons have the right prerequisites to be among the most significant pathways to formation of nitriles, imines and other simple N-containing organic molecules. The closed-shell products methanimine, ethanimine, ketenimine, 2H-azirine and the radical products CH3N, HCCN and CH2NCH can be the intermediate molecular species that, via addition reactions, polymerization and copolymerization form the N-rich organic aerosols of Titan as well as tholins in bulk reactors simulating Titan’s atmosphere.