Glycinamide, a Glycine Precursor, Caught in the Gas Phase: A Laser-ablation Jet-cooled Rotational Study

Alonso, Eduardo José Menéndez; Kolesníková, Lucie; Białkowska-Jaworska, E.; Kisiel, Zbigniew; León, Íker; Guillemin, Jean‐Claude; Alonso, José L.

doi:10.3847/1538-4357/aac6e9

Cited by 13 publications

(30 citation statements)

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“…This fact is also supported by the low interconversion barrier from syn-anti to syn-syn SA (9.3 kJ mol À1 ). However,o nt he low-frequency side of each m b -type R-branch transition of the anti-anti conformer,v ery weaks ets of the same R-branch progressions could be identified and were indeed ascribed to the 13 Ci sotopologs in their natural abundance (1.109 %) with doubled intensity owing to the existence of two equivalent carbons [see Figure 4(a)].T he sensitivity attained with our laser ablationb roadband chirped pulse Fourier transformm icrowave spectroscopy (LA-CP-FTMW)t echnique was not sufficient to observe the 18 Om onosubstituted speciesd espite its enhanceda bundance (0.410 %d ue to the C 2v symmetry). We took advantage of the high sensitivity of our narrowbandL A-MB (molecular beam)-FTMW spectrometer [23,24] for the observation of 18 Oi sotopologs [see Figure4(b)].…”

Section: Rotational Spectrummentioning

confidence: 99%

“…Coupled with laser ablation techniques, it enables the transfer of organic and biological molecules from the solid state to the gas phase and allows them to be probed in the isolated environment of a supersonic expansion . By using this powerful strategy, most of the amino acids and several relevant biological molecules, as well as species of astrophysical interest, such as glycinamide, have been recently revealed. Also, new gas‐phase experiments exploring not only the conformational landscape of squaric acid but its microsolvated complexes should represent an essential source of reference data to understand its inherent inter‐ and intramolecular interactions.…”

Section: Introductionmentioning

confidence: 99%

“…b) Zoomed-in view of the broadbands pectrum showing the alternation of the 3:1s tatistical weights( see text) for the 303 ! 2 12 (eo-oe), 313 ! 2 02 (oo-ee), and the 4 04 !…”

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confidence: 99%

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The Shape of the Archetypical Oxocarbon Squaric Acid and Its Water Clusters

Sanz-Novo

Alonso

León

2019

Chemistry A European J

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Herein, a full structural description is presented for the archetypical supramolecular synthone squaric acid (3,4‐dihydroxy‐3‐cyclobutene‐1,2‐dione), placed in the gas phase by laser ablation and characterized by chirped pulse Fourier transform microwave technique. Free from natural environmental disturbances, two different anti‐anti and syn‐anti planar forms and the corresponding water clusters have been revealed in a supersonic expansion. The substitution structure of the most stable anti‐anti conformer has also been extracted from the analysis of the rotational spectra of the 13C and 18O isotopic species in their natural abundance. The interplay between inter‐ and intramolecular interactions involving hydroxy and carbonyl groups has been analyzed by QTAIM (quantum theory of atoms in molecules) methods for squaric acid and its water clusters to understand their chemical behavior and further rationalize their role in the stabilization of these molecular systems.

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Section: Rotational Spectrummentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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The Shape of the Archetypical Oxocarbon Squaric Acid and Its Water Clusters

Sanz-Novo

Alonso

León

2019

Chemistry A European J

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“…In the hypothesis that this compound could be a precursor of glycine by hydrolysis, the addition of one molecule of water would give the glycinamide intermediate. The microwave spectrum of this compound was recently published (Alonso et al 2018), but the millimeter wave spectrum is still missing. On the other hand, this is not the case of glycolamide, a glycine isomer, whose millimeter wave spectrum was recorded very recently (Sanz-Novo et al 2020).…”

Section: Introductionmentioning

confidence: 99%

Rotational spectroscopic study and astronomical search for propiolamide in Sgr B2(N)

Alonso

Kolesníková

Беллоче

et al. 2021

A&A

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Context. For all the amides detected in the interstellar medium (ISM), the corresponding nitriles or isonitriles have also been detected in the ISM, some of which have relatively high abundances. Among the abundant nitriles for which the corresponding amide has not yet been detected is cyanoacetylene (HCCCN), whose amide counterpart is propiolamide (HCCC(O)NH2). Aims. With the aim of supporting searches for this amide in the ISM, we provide a complete rotational study of propiolamide from 6 to 440 GHz. Methods. Time-domain Fourier transform microwave spectroscopy under supersonic expansion conditions between 6 and 18 GHz was used to accurately measure and analyze ground-state rotational transitions with resolved hyperfine structure arising from nuclear quadrupole coupling interactions of the 14N nucleus. We combined this technique with the frequency-domain room-temperature millimeter wave and submillimeter wave spectroscopies from 75 to 440 GHz in order to record and assign the rotational spectra in the ground state and in the low-lying excited vibrational states. We used the ReMoCA spectral line survey performed with the Atacama Large Millimeter/submillimeter Array toward the star-forming region Sgr B2(N) to search for propiolamide. Results. We identified and measured more than 5500 distinct frequency lines of propiolamide in the laboratory. These lines were fitted using an effective semi-rigid rotor Hamiltonian with nuclear quadrupole coupling interactions taken into consideration. We obtained accurate sets of spectroscopic parameters for the ground state and the three low-lying excited vibrational states. We report the nondetection of propiolamide toward the hot cores Sgr B2(N1S) and Sgr B2(N2). We find that propiolamide is at least 50 and 13 times less abundant than acetamide in Sgr B2(N1S) and Sgr B2(N2), respectively, indicating that the abundance difference between both amides is more pronounced by at least a factor of 8 and 2, respectively, than for their corresponding nitriles. Conclusions. Although propiolamide has yet to be included in astrochemical modeling networks, the observed upper limit to the ratio of propiolamide to acetamide seems consistent with the ratios of related species as determined from past simulations. The comprehensive spectroscopic data presented in this paper will aid future astronomical searches.

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“…Coupled with laser-ablation techniques, it enables an ultra-fast vaporization of organic and biological molecules and allows them to be probed in the isolated environment of a supersonic expansion (Alonso et al 2014). With this outstanding strategy, several relevant biomolecules and most of the amino acids (Alonso et al 2015), as well as species of astrophysical interest, such as hydantoin (Alonso et al 2017) and glycinamide (Alonso et al 2018), have recently been revealed.…”

Section: Introductionmentioning

confidence: 99%

Formation of interstellar cyanoacetamide: a rotational and computational study

Sanz-Novo

León²,

Alonso³

et al. 2020

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Context. Cyanoacetamide is a branched chain-CN bearing molecule that is also an amide derivative target molecule in the interstellar medium. Aims. The aim of our investigation is to analyze the feasibility of a plausible formation process of protonated cyanoacetamide under interstellar conditions and to provide direct experimental frequencies of the ground vibrational state of the neutral form in the microwave region in order to enable its eventual identification in the interstellar medium. Methods. We used high-level theoretical computations to study the formation process of protonated cyanoacetamide. Furthermore, we employed a high-resolution laser-ablation molecular beam Fourier transform spectroscopic technique to measure the frequencies of the neutral form. Results. We report the first rotational characterization of cyanoacetamide, and a precise set of the relevant rotational spectroscopic constants have been determined as a first step to identifying the molecule in the interstellar medium. We fully explored the potential energy surface to study a gas-phase reaction on the formation process of protonated cyanoacetamide. We found that an exothermic process with no net activation barrier is initiated by the high-energy isomer of protonated hydroxylamine, which leads to protonated cyanoacetamide.

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Glycinamide, a Glycine Precursor, Caught in the Gas Phase: A Laser-ablation Jet-cooled Rotational Study

Cited by 13 publications

References 40 publications

The Shape of the Archetypical Oxocarbon Squaric Acid and Its Water Clusters

The Shape of the Archetypical Oxocarbon Squaric Acid and Its Water Clusters

Rotational spectroscopic study and astronomical search for propiolamide in Sgr B2(N)

Formation of interstellar cyanoacetamide: a rotational and computational study

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