First detection in space of the high-energy isomer of cyanomethanimine: H2CNCN
David San Andrés, Víctor M. Rivilla, Laura Colzi, Izaskun Jiménez-Serra, Jesús Martín-Pintado, Andrés Megías, Álvaro López-Gallifa, Antonio Martínez-Henares, Sa… 展开作者
David San Andrés, Víctor M. Rivilla, Laura Colzi, Izaskun Jiménez-Serra, Jesús Martín-Pintado, Andrés Megías, Álvaro López-Gallifa, Antonio Martínez-Henares, Sarah Massalkhi, Shaoshan Zeng, Miguel Sanz-Novo, Belén Tercero, Pablo de Vicente, Sergio Martín, Miguel A. Requena-Torres, Germán Molpeceres, Juan García de la Concepción
备注：
22 pages, 8 figures, 3 tables, 2 appendix - Accepted for publication in The Astrophysical Journal
We report the first detection in the interstellar medium of $N$-cyanomethanimine (H$_2$CNCN), the stable dimer of HCN of highest energy, and the most complex organic molecule identified in space containing the prebiotically relevant NCN backbone. We have identified a plethora of $a$-type rotational transitions with 3 $\leq J_\text{up} \leq$ 11 and $K_\text{a} \leq$ 2 that belong to this species towards the Galactic Center G+0.693-0.027 molecular cloud, the only interstellar source showing the three cyanomethanimine isomers (including the $Z$- and $E$- isomers of $C$-cyanomethanimine, HNCHCN). We have derived a total column density for H$_2$CNCN of (2.9$\, \pm \,$0.1)$\times$10$^{12}$ cm$^{-2}$, which translates into a total molecular abundance with respect to H$_2$ of (2.1$\, \pm \,$0.3)$\times$10$^{-11}$. We have also revisited the previous detection of $E$- and $Z$-HNCHCN, and found a total $C/N$-cyanomethanimine abundance ratio of 31.8$\, \pm \,$1.8 and a $Z/E$-HNCHCN ratio of 4.5$\, \pm \,$0.2. While the latter can be explained on the basis of thermodynamic equilibrium, chemical kinetics are more likely responsible for the observed $C/N$-cyanomethanimine abundance ratio, where the gas-phase reaction between methanimine (CH$_2$NH) and the cyanogen radical (CN) arises as the primary formation route.
We report the first detection in the interstellar medium of the Z-isomer of cyanomethanimine (HNCHCN), an HCN dimer proposed as precursor of adenine. We identified six transitions of Z-cyanomethanimine, along with five transitions of E-cyanomethanimine, using IRAM 30m observations towards the Galactic Center quiescent molecular cloud G+0.693. The Z-isomer has a column density of (2.0$\pm$0.6)$\times$10$^{14}$ cm$^{-2}$ and an abundance of 1.5$\times$10$^{-9}$. The relative abundance ratio between the isomers is [Z/E]$\sim$6. This value cannot be explained by the two chemical formation routes p…
In this work, we present the results of our investigation into the chemistry of Z- and E-cyanomethanimine (HNCHCN), both of which are possible precursors to the nucleobase adenine. Ab initio quantum chemical calculations for a number of reactions with atomic hydrogen were carried out. We find that the reaction H + Z/E-HNCHCN leading both to H-addition as well as H$_2$-abstraction proceed via similar short-range barriers with bimolecular rate coefficients on the order of $\sim10^{-17}$ cm$^{3}$ s$^{-1}$. These results were then incorporated into astrochemical models and used in simulations of t…
Recent astronomical observations of both isomers E and Z of imines such as cyanomethanimine, ethanimine and 2-propyn-1-imine, have revealed that the abundances in the ISM of these isomers differ by factors of ~3-10. Several theories have been proposed to explain the observed behavior, but none of them successfully explains the [E]/[Z] ratios. In this work we present a detailed study of the kinetics of the one-step E-Z isomerization reactions of cyanomethanimine, ethanimine and 2-propyn-1-imine under interstellar conditions (in the 10-400 K temperature range). This reaction was previously thoug…
We present Yebes 40m telescope observations of the three most stable C4H3N isomers towards the cyanopolyyne peak of TMC-1. We have detected 13 transitions from CH3C3N (A and E species), 16 lines from CH2CCHCN, and 27 lines (a-type and b-type) from HCCCH2CN. We thus provide a robust confirmation of the detection of HCCCH2CN and CH2CCHCN in space. We have constructed rotational diagrams for the three species, and obtained rotational temperatures between 4-8 K and similar column densities for the three isomers, in the range (1.5-3)e12 cm-2. Our chemical model provides abundances of the order of t…
Laboratory spectroscopy, theoretical characterization, and astronomical search for syn-propenethial (CH2CHCHS)
Instituto de Física Fundamental, Consejo Superior de Investigaciones Científicas（基础物理研究所，西班牙国家科研委员会）；National Yang Ming Chiao Tung University（国立阳明交通大学）；University of Chemistry and Technology（化学技术大学）
Tentative Detection of the Glycine Isomer Glycolamide in Hot Molecular Core
Chongqing University（重庆大学）；Max Planck Institute for Astronomy（马克斯·普朗克天文学研究所）；Xi’an Jiaotong-Liverpool University（西交利物浦大学）；Observatoire de Paris, PSL Research University, CNRS, Sorbonne Universités（巴黎天文台，PSL研究大学，法国国家科学研究中心，索邦大学）；GuangZhou University（广州大学）
The detection of a branched alkyl molecule in the high-mass star forming protocluster Sgr B2(N) permitted by the advent of ALMA revealed a new dimension of interstellar chemistry. Astrochemical simulations subsequently predicted that beyond a certain degree of molecular complexity, branched molecules could even dominate over their straight-chain isomers. More generally, we aim at probing further the presence in the ISM of complex organic molecules with the capacity to exhibit both a normal and iso form, via the attachment of a functional group to either a primary or secondary carbon atom. We u…
We present a study of the isocyano isomers of the cyanopolyynes HC3N, HC5N, and HC7N in TMC-1 and IRC+10216 carried out with the Yebes 40m radio telescope. This study has enabled us to report the detection, for the first time in space, of HCCCCNC in TMC-1 and to give upper limits for HC6NC in the same source. In addition, the deuterated isotopologues of HCCNC and HNCCC were detected, along with all 13C substitutions of HCCNC, also for the first time in space. The abundance ratios of HC3N and HC5N, with their isomers, are very different in TMC-1 and IRC+10216, namely, N(HC5N)/N(HC4NC) is 300 an…
We report the detection of two isomers of ethynyl cyclopentadiene (c-C5H5CCH), namely 1- and 2-ethynyl-1,3-cyclopentadiene, in the direction of TMC-1. We derive column densities of (1.4 +/- 0.2)e12 cm-2, and (2.0 +/- 0.4)e12 cm-2, respectively, for these two cyclopentadiene derivatives, which imply that they are about ten times less abundant than cyclopentadiene. We also report the tentative detection of ethynyl benzene (C6H5CCH), for which we estimate a column density of (2.5 +/-0.4)e12 cm-2. We derived abundances for the corresponding cyano derivatives of cyclopentadiene and benzene and foun…
Expanding the C$_3$H$_6$O$_2$ Isomeric Interstellar Inventory: Discovery of Lactaldehyde and Methoxyacetaldehyde in G+0.693-0.027
Centro de Astrobiología (CAB), INTA-CSIC（天体生物学中心）；Star and Planet Formation Laboratory, Pioneering Research Institute, RIKEN（理化学研究所前沿研究 institute 星与行星形成实验室）；Departamento de Física de la Tierra y Astrofísica, Facultad de Ciencias Físicas, Universidad Complutense de Madrid（马德里康普顿斯大学物理科学学院地球与天体物理学系）
Characterizing the molecular composition of solar-type protostars is useful for improving our understanding of the physico-chemical conditions under which the Sun and its planets formed. In this work, we analyzed the Atacama Large Millimeter/submillimeter Array (ALMA) data of the Protostellar Interferometric Line Survey (PILS), an unbiased spectral survey of the solar-type protostar IRAS~16293--2422, and we tentatively detected 3-hydroxypropenal (HOCHCHCHO) for the first time in the interstellar medium towards source B. Based on the observed line intensities and assuming local thermodynamic eq…
The chemical compounds carrying the thiol group (-SH) have been considered essential in recent prebiotic studies regarding the polymerization of amino acids. We have searched for this kind of compounds toward the Galactic Centre quiescent cloud G+0.693-0.027. We report the first detection in the interstellar space of the trans-isomer of monothioformic acid (t-HC(O)SH) with an abundance of $\sim\,$1$\,\times\,$10$^{-10}$. Additionally, we provide a solid confirmation of the gauche isomer of ethyl mercaptan (g-C$_2$H$_5$SH) with an abundance of $\sim\,$3$\,\times\,$10$^{-10}$, and we also detect…
Much like six-membered rings, five-membered rings are ubiquitous in organic chemistry, frequently serving as the building blocks for larger molecules, including many of biochemical importance. From a combination of laboratory rotational spectroscopy and a sensitive spectral line survey in the radio band toward the starless cloud core TMC-1, we report the astronomical detection of 1-cyano-1,3-cyclopentadiene, $c$-C$_5$H$_5$CN}, a highly polar, cyano derivative of cyclopentadiene, $c$-C$_5$H$_6$. The derived abundance of $c$-C$_5$H$_5$CN} is far greater than predicted from astrochemical models w…
Using radio observations with the Green Bank Telescope, evidence has now been found for a second five-membered ring in the dense cloud Taurus Molecular Cloud-1 (TMC-1). Based on additional observations of an ongoing, large-scale, high-sensitivity spectral line survey (GOTHAM) at centimeter wavelengths toward this source, we have used a combination of spectral stacking, Markov chain Monte Carlo (MCMC), and matched filtering techniques to detect 2-cyanocyclopentadiene, a low-lying isomer of 1-cyanocyclopentadiene, which was recently discovered there by the same methods. The new observational dat…
There is compelling cosmological and astrophysical evidence of dark matter comprising 27% of the energy budget of the Universe. However, dark matter has never been observed in direct detection experiments. The long-time favorite model of Weakly Interacting Massive Particles saw a large experimental effort with steady progress over recent decades. Since also these large-scale searches remain unsuccessful to date, it is compelling to look at more exotic dark matter models which can be constrained with new approaches and much less scientific resources. Using nuclear isomers is one of these approa…
We report the detection of methyl ketene towards TMC-1 with the QUIJOTE line survey. Nineteen rotational transitions with rotational quantum numbers ranging from J = 3 up to J = 5 and Ka =< 2 were identified in the frequency range 32.0-50.4 GHz, 11 of which arise above the 3σ level. We derived a column density for CH3CHCO of N=1.5x10^11 cm-2 and a rotational temperature of 9 K. Hence, the abundance ratio between ketene and methyl ketene, CH2CO/CH3CHCO, is 93. This species is the second C3H4O isomer detected. The other, trans-propenal (CH2CHCHO), corresponds to the most stable isomer and has a …
We studied theoretically the cis-trans isomerization reactions of two astrophysically relevant acids, formic acid (HCOOH) and thioformic acid (HC(O)SH), where the latter has recently been discovered in space. We also searched for these molecules towards the hot core G31.41+0.31 to compare their abundances with the expected theoretical isomerization results. Our results demonstrate that these isomerizations are viable in the conditions of the ISM due to ground-state tunneling effects, which allow the system to reach the thermodynamic equilibrium at moderately low temperatures. At very low tempe…
A long standing problem in astrochemistry is the inability of many current models to account for missing sulfur content. Many relatively simple species that may be good candidates to sequester sulfur have not been measured experimentally at the high spectral resolution necessary to enable radioastronomical identification. On the basis of new laboratory data, we report searches for the rotational lines in the microwave, millimeter, and sub-millimeter regions of the sulfur-containing hydrocarbon HCCSH. This simple species would appear to be a promising candidate for detection in space owing to t…
Small imines containing up to three carbon atoms are present in the interstellar medium. As alkynyl compounds are abundant in this medium, propargylimine thus represents a promising candidate for a new interstellar detection. The goal of the present work is to perform a comprehensive laboratory investigation of the rotational spectrum of propargylimine in its ground vibrational state in order to obtain a highly precise set of rest-frequencies and to search it in space. The rotational spectra of $E$ and $Z$ geometrical isomers of propargylimine have been recorded in laboratory in the 83-500 GHz…
Astronomical infrared spectral features at ~6.6, 9.8 and 20 micronm have recently been suggested as being due to the planar graphene form of C24 carbon cluster. Here we report density functional theory and coupled cluster calculations on wavefunctions stability, relative energies, and infrared spectra of four different types of C24 isomers, including the graphene and fullerene forms. The types of vibrational motions under these bands are also discussed. Among the four isomers, we find that the astronomical data are best approximated by the graphene form of C24.
To date, two isomers of H$_2$C$_3$O have been detected, namely, propynal (HCCCHO) and cylclopropenone (c-H$_2$C$_3$O). A third, propadienone (CH$_2$CCO), has thus far eluded observers despite the fact that it is the lowest in energy of the three. This previously noted result is in contradiction of the minimum energy principle, which posits that the abundances of isomers in interstellar environments can be predicted based on their relative stabilities - and suggests, rather, the importance of kinetic over thermodynamic effects in explaining the role of such species. Here, we report results of \…
We present laboratory rotational spectroscopy of five isomers of cyanoindene (2-, 4-, 5-, 6-, and 7-cyanoindene) using a cavity Fourier-transform microwave spectrometer operating between 6-40 GHz. Based on these measurements, we report the detection of 2-cyanoindene (1H-indene-2-carbonitrile; 2-C$_9$H$_7$CN) in GOTHAM line survey observations of the dark molecular cloud TMC-1 using the Green Bank Telescope at centimeter wavelengths. Using a combination of Markov Chain Monte Carlo (MCMC), spectral stacking, and matched filtering techniques, we find evidence for the presence of this molecule at …
A detection of sulfur-bearing cyclic hydrocarbons in space
Max-Planck-Institut für extraterrestrische Physik（马克斯·普朗克地外物理研究所）；Centro de Astrobiología (CAB), CSIC-INTA（西班牙国家航空航天技术研究所/西班牙高等科学研究理事会天体生物学中心）；RIKEN（理化学研究所）
We report the first identification in space of H2NC, a high-energy isomer of H2CN that has been largely ignored in chemical and astrochemical studies. The observation of various unidentified lines around 72.2 GHz in the cold dark cloud L483 motivated the search for, and successful detection of, additional groups of lines in harmonic relation. After an exhaustive high-level ab initio screening of possible carriers, we confidently assign the unidentified lines to H2NC based on the good agreement between astronomical and theoretical spectroscopic parameters and sound spectroscopic and astrochemic…
Nitriles play a key role as molecular precursors in prebiotic experiments based on the RNA-world scenario for the origin of life. These chemical compounds could have been partially delivered to the young Earth from extraterrestrial objects, stressing the importance of establishing the reservoir of nitriles in the interstellar medium. We report here the detection towards the molecular cloud G+0.693-0.027 of several nitriles, including cyanic acid (HOCN), and three C$_4$H$_3$N isomers (cyanoallene, CH$_2$CCHCN; propargyl cyanide, HCCCH$_2$CN; and cyanopropyne (CH$_3$CCCN), and the tentative dete…
