Quantum chemical analysis for the formation of glycine in the interstellar medium

Singh, Ashutosh Pratap; Misra, Alka; Tandon, Poonam

doi:10.1088/1674-4527/13/8/003

Cited by 26 publications

(22 citation statements)

References 39 publications

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“…More recently, several studies have proposed other mechanisms for glycine production in the interstellar medium. For instance, Singh et al (2013) discussed three different reaction paths in the gaseous phase as well as in water-dominated ices that coat interstellar dust,…”

Section: Glycinementioning

confidence: 99%

Distributed glycine in comet 67P/Churyumov-Gerasimenko

Hadraoui

Cottin

Ivanovski

et al. 2019

A&A

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Most of the gaseous molecules that are detected in cometary atmospheres are produced through sublimation of nucleus ices. Distributed sources may also occur, that is, production within the coma, from the solid component of dust particles that are ejected from the nucleus. Glycine, the simplest amino acid, was observed episodically in the atmosphere of comet 67P/Churyumov-Gerasimenko (67P) by the ROSINA mass spectrometer on board the Rosetta probe. A series of measurements on 28 March 2015 revealed a distributed density profile at between 14 and 26 km away from the nucleus. We here present and discuss three study cases: (i) glycine emitted directly and only from the nucleus, (ii) glycine emitted from the sublimation of solid-state glycine on the dust particles that are ejected from the nucleus, and (iii) glycine molecules embedded in water ice that are emitted from the sublimation of this ice from the dust particles that are ejected from the nucleus. A numerical model was developed to calculate the abundance of glycine in the atmosphere of comet 67P as a function of the distance from the nucleus, and to derive its initial abundance in the lifted dust particles. We show that a good fit to the observations corresponds to a distributed source of glycine that is embedded in sublimating water ice from dust particles that are ejected from the nucleus (iii). The few hundred ppb of glycine embedded in water ice on dust particles (nominally 170 ppb by mass) agree well with the observed distribution.

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Section: Glycinementioning

confidence: 99%

Distributed glycine in comet 67P/Churyumov-Gerasimenko

Hadraoui

Cottin

Ivanovski

et al. 2019

A&A

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“…These reactions are series of hydrogenation processes to HCN on grains, as summarized in Table 3. 3. We have included the glycine formation on the grains from Singh et al (2013) via sequences of reactions with simple species, which are abundant in the ISM. They showed following possible routes to form glycine via quantum chemical calculations:…”

Section: Developed Chemical Network For Glycinementioning

confidence: 99%

“…While the reactions (2) was employed in Garrod (2013), Singh et al (2013) suggested the new reaction sequences to finally form glycine involving CH 2 CO, NH 2 CH 2 CO, and NH 2 CHCO. We tested the importance of these reaction sequence for the first time.…”

Section: Developed Chemical Network For Glycinementioning

confidence: 99%

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An Expanded Gas-grain Model for Interstellar Glycine

Suzuki

Majumdar

Ohishi

et al. 2018

ApJ

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The study of the chemical evolution of glycine in the interstellar medium is one of challenging topics in astrochemistry. Here, we present the chemical modeling of glycine in hot cores using the state-of-the-art three-phase chemical model NAUTILUS, which is focused on the latest glycine chemistry. For the formation process of glycine on the grain surface, we obtained consistent results with previous studies that glycine would be formed via the reactions of COOH with CH 2 NH 2 . However, we will report three important findings regarding the chemical evolution and the detectability of interstellar glycine. First, with the experimentally obtained binding energy from the temperature programmed thermal desorption (TPD) experiment, a large proportion of glycine was destroyed through the grain surface reactions with NH or CH 3 O radicals before it fully evaporates. As a result, the formation process in the gas phase is more important than thermal evaporation from grains. If this is the case, NH 2 OH and CH 3 COOH rather than CH 3 NH 2 and CH 2 NH would be the essential precursors to the gas phase glycine. Secondly, since the gas phase glycine will be quickly destroyed by positive ions or radicals, early evolutionary phase of the hot cores would be the preferable target for the future glycine surveys. Thirdly, we suggest the possibility that the suprathermal hydrogen atoms can strongly accelerate the formation of COOH radicals from CO 2 , resulting in the dramatic increase of formation rate of glycine on grains. The efficiency of this process should be investigated in detail by theoretical and experimental studies in the future.

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“…The chemical analysis calculates the energy requirement for the reaction path; all calculations were performed at a temperature of 273.25 K and 1 atmospheric pressure. It has also been concluded that the proposed reactions, which are feasible and exothermic at this temperature and pressure, can also have a high probability of occurrence at low temperatures (∼100 K) and pressure (≤1 atm) in interstellar space (Singh et al 2013). The results depend on the conditions of the environment such as radiation field, temperature, and pressure, but our study gives qualitative indicators for serine formation in the ISM.…”

Section: Methodsmentioning

confidence: 96%

Quantum-chemical approach to serine formation in the interstellar medium: A possible reaction pathway

Singh

Gupta

Misra

et al. 2014

A&A

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Radical-radical and radical-neutral interaction schemes are very important for the formation of comparatively complex molecules in low-temperature chemistry. The formation of amino acids, such as serine, in the interstellar medium is quite difficult. We explored the possibility of serine formation in the interstellar medium through detected interstellar molecules such as CH, CO, and OH by radicalradical and radical-neutral interactions in the gaseous phase using rigorous quantum-chemical calculations. The reaction energies, the low potential barrier and the structures of all the geometries involved in the reaction path show that serine formation is possible in interstellar space via the reaction paths.

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Quantum chemical analysis for the formation of glycine in the interstellar medium

Cited by 26 publications

References 39 publications

Distributed glycine in comet 67P/Churyumov-Gerasimenko

Distributed glycine in comet 67P/Churyumov-Gerasimenko

An Expanded Gas-grain Model for Interstellar Glycine

Quantum-chemical approach to serine formation in the interstellar medium: A possible reaction pathway

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