Gas-Phase Synthesis of Precursors of Interstellar Glycine: A Computational Study of the Reactions of Acetic Acid With Hydroxylamine and Its Ionized and Protonated Derivatives

Barrientos, Carmen; Largo, Laura; Rayón, Víctor M.; Largo, Antonio

doi:10.1088/0004-637x/748/2/99

Cited by 43 publications

(56 citation statements)

References 45 publications

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“…The activation barrier is lowered with respect to the neutral-neutral reaction (≈20-30 kcal mol −1 ) when ionized and protonated hydroxylamine are considered as reactants. A similar result was found in our previous study of the reactions of acetic acid with hydroxylamine and its ionized and protonated derivatives (Barrientos et al 2012). …”

Section: Nh 2 Oh + + H 2 Co Reactionsupporting

confidence: 91%

Some Insights Into Formamide Formation Through Gas-Phase Reactions in the Interstellar Medium

Redondo

Barrientos

Largo

2013

ApJ

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We study the viability of different gas-phase ion-molecule reactions that could produce precursors of formamide in the interstellar medium. We analyze different reactions between cations containing a nitrogen atom (NH + 3 , NH + 4 , NH 3 OH + , and NH 2 OH + ) and neutral molecules having one carbonyl group (H 2 CO and HCOOH). First, we report a theoretical estimation of the reaction enthalpies for the proposed processes. Second, for more favorable reactions, from a thermodynamic point of view, we perform a theoretical study of the potential energy surface. In particular, the more exothermic processes correspond to the reactions of ionized and protonated hydroxylamine with formaldehyde. In addition, a neutral-neutral reaction has also been considered. The analysis of the potential energy surfaces corresponding to these reactions shows that these processes present a net activation barrier and that they cannot be considered as a source of formamide in space.

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Section: Nh 2 Oh + + H 2 Co Reactionsupporting

confidence: 91%

Some Insights Into Formamide Formation Through Gas-Phase Reactions in the Interstellar Medium

Redondo

Barrientos

Largo

2013

ApJ

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“…Recent calculations, however, have cast doubt on the efficiency of such processes; 53 hence, new experimental studies at low temperatures are needed to support or disprove these findings.…”

Section: Astrophysical Implicationsmentioning

confidence: 99%

Efficient surface formation route of interstellar hydroxylamine through NO hydrogenation. I. The submonolayer regime on interstellar relevant substrates

Congiu

Chaabouni

Laffon

et al. 2012

The Journal of Chemical Physics

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Dust grains in the interstellar medium are known to serve as the first chemical laboratory where the rich inventory of interstellar molecules are synthesized. Here we present a study of the formation of hydroxylamine--NH(2)OH--via the non-energetic route NO + H (D) on crystalline H(2)O and amorphous silicate under conditions relevant to interstellar dense clouds. Formation of nitrous oxide (N(2)O) and water (H(2)O, D(2)O) is also observed and the reaction network is discussed. Hydroxylamine and water results are detected in temperature-programmed desorption (TPD) experiments, while N(2)O is detected by both reflection-absorption IR spectroscopy and TPD techniques. The solid state NO + H reaction channel proves to be a very efficient pathway to NH(2)OH formation in space and may be a potential starting point for prebiotic species in dark interstellar clouds. The present findings are an important step forward in understanding the inclusion of interstellar nitrogen into a non-volatile aminated species since NH(2)OH provides a solid state nitrogen reservoir along the whole evolutionary process of interstellar ices from dark clouds to planetary systems.

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“…Here, the key stage of this suggested mechanism is that in which reactions between protonated hydroxylamine and carboxylic acids occur. Although these reaction pathways were already proved experimentally to be efficient at room temperature, 15 recent calculations show that they may involve activation barriers 75 and, therefore, that they may not be efficient under astronomically relevant conditions. Thus, there is now great demand for experimental verification of the latter results.…”

Section: Astrochemical Implicationsmentioning

confidence: 99%

Efficient surface formation route of interstellar hydroxylamine through NO hydrogenation. II. The multilayer regime in interstellar relevant ices

Fedoseev

Ioppolo

Lamberts

et al. 2012

The Journal of Chemical Physics

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Hydroxylamine (NH 2 OH) is one of the potential precursors of complex pre-biotic species in space. Here, we present a detailed experimental study of hydroxylamine formation through nitric oxide (NO) surface hydrogenation for astronomically relevant conditions. The aim of this work is to investigate hydroxylamine formation efficiencies in polar (water-rich) and non-polar (carbon monoxiderich) interstellar ice analogues. A complex reaction network involving both final (N 2 O, NH 2 OH) and intermediate (HNO, NH 2 O · , etc.) products is discussed. The main conclusion is that hydroxylamine formation takes place via a fast and barrierless mechanism and it is found to be even more abundantly formed in a water-rich environment at lower temperatures. In parallel, we experimentally verify the non-formation of hydroxylamine upon UV photolysis of NO ice at cryogenic temperatures as well as the non-detection of NC-and NCO-bond bearing species after UV processing of NO in carbon monoxide-rich ices. Our results are implemented into an astrochemical reaction model, which shows that NH 2 OH is abundant in the solid phase under dark molecular cloud conditions. Once NH 2 OH desorbs from the ice grains, it becomes available to form more complex species (e.g., glycine and β-alanine) in gas phase reaction schemes.

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Gas-Phase Synthesis of Precursors of Interstellar Glycine: A Computational Study of the Reactions of Acetic Acid With Hydroxylamine and Its Ionized and Protonated Derivatives

Cited by 43 publications

References 45 publications

Some Insights Into Formamide Formation Through Gas-Phase Reactions in the Interstellar Medium

Some Insights Into Formamide Formation Through Gas-Phase Reactions in the Interstellar Medium

Efficient surface formation route of interstellar hydroxylamine through NO hydrogenation. I. The submonolayer regime on interstellar relevant substrates

Efficient surface formation route of interstellar hydroxylamine through NO hydrogenation. II. The multilayer regime in interstellar relevant ices

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