Chemical mechanism for the decomposition of CH3NH2 and implications to interstellar glycine

Jesus, Diego N de; Silva, Jean M B A da; Tejero, Tatiane Nicola; Machado, G.; Xavier, Neubi Francisco; Bauerfeldt, Glauco F.

doi:10.1093/mnras/staa3644

Cited by 11 publications

(8 citation statements)

References 72 publications

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“…Sato et al employed state-of-the-art DFT calculations and reported that reaction (1) is the most feasible route 7 ; these authors proposed that the aminomethyl radical, •CH 2 NH 2 , might be produced from successive hydrogenation of HCN or H abstraction from CH 3 NH 2 by •OH or •NH 2 5 – 9 . A similar theoretical chemical model involving NH 3 and •HOCO was also proposed to understand the main routes for the formation and decomposition of CH 3 NH 2 10 .…”

Section: Introductionmentioning

confidence: 99%

A chemical link between methylamine and methylene imine and implications for interstellar glycine formation

Joshi

Lee

2022

Commun Chem

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Methylamine CH3NH2 is considered to be an important precursor of interstellar amino acid because hydrogen abstraction might lead to the aminomethyl radical •CH2NH2 that can react with •HOCO to form glycine, but direct evidence of the formation and spectral identification of •CH2NH2 remains unreported. We performed the reaction H + CH3NH2 in solid p-H2 at 3.2 K and observed IR spectra of •CH2NH2 and CH2NH upon irradiation and when the matrix was maintained in darkness. Previously unidentified IR spectrum of •CH2NH2 clearly indicates that •CH2NH2 can be formed from the reaction H + CH3NH2 in dark interstellar clouds. The observed dual-cycle mechanism containing two consecutive H-abstraction and two H-addition steps chemically connects CH3NH2 and CH2NH in interstellar media and explains their quasi-equilibrium. Experiments on CD3NH2 produced CD2HNH2, in addition to •CD2NH2 and CD2NH, confirming the occurrence of H addition to •CD2NH2.

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Section: Introductionmentioning

confidence: 99%

A chemical link between methylamine and methylene imine and implications for interstellar glycine formation

Joshi

Lee

2022

Commun Chem

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“…Next, let us consider the relationship between reactive orbitals and reaction pathways by exploring the reactive orbitals for as comprehensive reaction paths as possible from the equilibrium structure of glycine molecule. Note that more reaction paths of very similar conformers 52 and very high-energy isomers 53 are suggested, though the presence of these paths is supposed to depend on the level of the calculation method used. Figure 4 displays the generated reaction pathways from glycine molecule with the corresponding reactive orbital pairs.…”

Section: Global Reaction Route Map Of Formaldehydementioning

confidence: 99%

One-to-One Correspondence between Reaction Pathways and Reactive Orbitals

Hasebe

Tsutsumi

Taketsugu

et al. 2021

J. Chem. Theory Comput.

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The one-to-one correspondence between reaction pathways in the potential energy theory and reactive orbitals in the electronic theory for reactions is presented. In this study, the reactive orbital energy method is applied to the intrinsic reaction coordinates of the global reaction route map generated by an automated reaction path search method. The reactive orbital energy method specifies the pairs of occupied and unoccupied reactive orbitals driving chemical reactions and determines whether the reactions are electron transfer-driven or dynamics-driven. Surprisingly, it is found that the reactive orbital pairs are determined one by one for the electron transfer-driven reaction pathways from an identical molecule. The reactive orbital energy method is also found to provide the sophisticated interpretations of reactions for the electronic motions. This one-to-one correspondence is expected to trigger the unification of the potential energy theory and the electronic theory for reactions that have been independently developed.

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“…[ 29 ] Actually, MA is also an important interstellar chemical found several decades ago. [ 30,31 ] Owing to the reasons, gas/liquid chromatography, [ 32 ] electrochemical methods, [ 33,34 ] and quartz crystal microbalance (QCM), [ 35 ] etc., have been developed for the sensitive detection of MA in the air. The methods, however, are difficult to apply to on‐site and rapid detection due to tedious operation and equipment reasons.…”

Section: Introductionmentioning

confidence: 99%

A Mono‐Boron Complex‐Based Fluorescent Nanofilm with Enhanced Sensing Performance for Methylamine in Vapor Phase

Luo

Yang

et al. 2022

Adv Materials Technologies

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To develop new sensing films, there are a number of issues that need to be considered, which include, for example, 1) sensing unit (fluorophore) selection as it determines the effectiveness of sensing to the concerned analytes, 2) substrate selection since it could largely affect the sensing performances owing to screening or enriching the analytes from the medium, the so called substrate effect, [5][6][7] and 3) adlayer structure, another crucial but less concerned factor because it highly influences the sensitivity, selectivity, speed, and reversibility (3S + 1R) of a sensing process due to mass transferrelated reasons. [8] In fact, numerous fluorescent films have been developed by different fabrication methods, such as dropcasting [9] and spin-coating [10,11] , which are highly efficient but suffer from coffee-ring effect, [12][13][14] uncontrollable thickness and adlayer structures, etc. Langmuir-Blodgett and mono-layer self-assembled chemical techniques are another two kinds of popular ways to fabricate the sensing films. [15,16] The films fabricated in these two techniques could show much improved sensing performances mainly due to the unprecedented availability of the sensing units in the sensing. The films, however, are photochemically unstable, and the preparation is hard to scale up. Therefore, we proposed a molecular gel strategy to fabricate fluorescent films a few years ago, where the low-molecular mass gelators used are derivatives of sensing fluorophores. [17] The sensing films fabricated in the strategy show multiple advantages including efficient fabrication, improved photochemical stability, great porosity, and minimized substrate effect. However, the adlayer structures of the films are far from uniform, and the pore sizes could vary from sub-nanometers to tens or even hundreds of micrometers, which greatly weakens the size-related selectivity of the films in sensing. Even worse, fluorescent films with thickness in the nanometer range and with fine structures are hardly prepared in the way, and thereby, new strategies for fabrication of highperformance fluorescence sensing films need to be developed.Recently, we proposed a "mix design strategy" based on non-planar fluorophores, [18] where the capillary condensation and adsorption/desorption kinetics originated from the porous adlayer structures as well as micro-environment effectThe performance of a film-based fluorescent sensor is highly dependent on the innovative design of the sensing films aiming to elevate usability of sensing units, and enhance mass transfer of analytes within the fluorescent adlayer. Herein, a highly porous and uniform fluorescent nanofilm which is fabricated through an interfacially confined dynamic-covalent reaction between benzene-1,3,5-tricarbo-hydrazide and a mono-boron complex of 8-hydroxy-quinoline is reported. Remarkably, the thicknesses of the nanofilms prepared in this way can be modulated from tens to hundreds of nanometers. In addition, the nanofilms demonstrate much improved photochemical stability. Sensing p...

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Chemical mechanism for the decomposition of CH3NH2 and implications to interstellar glycine

Cited by 11 publications

References 72 publications

A chemical link between methylamine and methylene imine and implications for interstellar glycine formation

A chemical link between methylamine and methylene imine and implications for interstellar glycine formation

One-to-One Correspondence between Reaction Pathways and Reactive Orbitals

A Mono‐Boron Complex‐Based Fluorescent Nanofilm with Enhanced Sensing Performance for Methylamine in Vapor Phase

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