arXiv subjects

N. Marcelino

Publications and source records attributed to N. Marcelino.

At least 37 records · Page 2Linked to original sources

arXiv2023

Detection of vibrationally excited C6H in the cold prestellar core TMC-1 with the QUIJOTE line survey

In this work, we present the detection of twelve doublets with quantum numbers of N=12-11 to N=17-16 of the v11 vibrationally excited state of C6H towards TMC-1. This marks the first time that an excited vibrational state of a molecule has been detected in a cold starless core. The data are part of the QUIJOTE line survey gathered with the Yebes 40m radio telescope. The line intensities have been aptly reproduced with a rotational temperature of 6.2 +/- 0.4K and a column density of (1.2+/-0.2)e11 cm-2. We also analysed the ground state transitions of C6H, detecting fourteen lines with quantum numbers of J = 23/2-21/2 to J = 35/2 for each of the two 2Pi_3/2 and 2Pi_1/2 ladders. It is not possible to model the intensities of all the transitions of the ground state simultaneously using a single column density. We considered the two ladders as two different species and found that the rotational temperature is the same for both ladders, Trot(2Pi_3/2)=Trot(2Pi_1/2)=6.2+/-0.2, achieving a result that is comparable to that of the v11 state. The derived column densities are N(2Pi_3/2)(6.2+/-0.3)e12cm-2 and N(2Pi_1/2)=(8.0+/-0.4)e10cm-2. The fraction of C6H molecules in its 2Pi_3/2, 2Pi_1/2, and v11 states is 96.8 %, 1.3 %, and 1.9 %, respectively. Finally, we report that this vibrational mode has also been detected towards the cold cores Lupus-1A and L1495B, as well as the low-mass star forming cores L1527 and L483, with fractions of C6H molecules in this mode of 3.8%, 4.1%, 14.8%, and 6%, respectively.

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arXiv2023

Aromatic cycles are widespread in cold clouds

We report the detection of large hydrocarbon cycles toward several cold dense clouds. We observed four sources (L1495B, Lupus-1A, L483, and L1527) in the Q band (31-50 GHz) using the Yebes 40m radiotelescope. Using the line stack technique, we find statistically significant evidence of benzonitrile (C$_6$H$_5$CN) in L1495B, Lupus-1A, and L483 at levels of 31.8$\,σ$, 15.0$\,σ$, and 17.2$\,σ$, respectively, while there is no hint of C$_6$H$_5$CN in the fourth source, L1527. The column densities derived are in the range (1.7-3.8)$\,\times\,10^{11}$ cm$^{-2}$, which is somewhat below the value derived toward the cold dense cloud TMC-1. When we simultaneously analyze all the benzonitrile abundances derived toward cold clouds in this study and in the literature, a clear trend emerges in that the higher the abundance of HC$_7$N, the more abundant C$_6$H$_5$CN is. This indicates that aromatic cycles are especially favored in those interstellar clouds where long carbon chains are abundant, which suggests that the chemical processes that are responsible for the formation of linear carbon chains are also behind the synthesis of aromatic rings. We also searched for cycles other than benzonitrile, and found evidence of indene (C$_9$H$_8$), cyclopentadiene (C$_5$H$_6$), and 1-cyano cyclopentadiene (1-C$_5$H$_5$CN) at levels of 9.3$\,σ$, 7.5$\,σ$, and 8.4$\,σ$, respectively, toward L1495B, which shows the strongest signal from C$_6$H$_5$CN. The relative abundances between the various cycles detected in L1495B are consistent -- within a factor of three -- with those previously found in TMC-1. It is therefore likely that not only C$_6$H$_5$CN but also other large aromatic cycles are abundant in clouds rich in carbon chains.

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arXiv2023

Laboratory and astronomical discovery of the cyanovinyl radical H2CCCN

We report the first laboratory and interstellar detection of the alpha-cyano vinyl radical (H2CCCN). This species was produced in the laboratory by an electric discharge of a gas mixture of vinyl cyanide, CH2CHCN, and Ne, and its rotational spectrum was characterized using a Balle-Flygare narrowband-type Fourier-transform microwave spectrometer operating in the frequency region of 8-40 GHz. The observed spectrum shows a complex structure due to tunneling splittings between two torsional sublevels of the ground vibronic state, 0+ and 0-, derived from a large-amplitude inversion motion. In addition, the presence of two equivalent hydrogen nuclei makes necessary to discern between ortho- and para-H2CCCN. A least squares analysis reproduces the observed transition frequencies with a standard deviation of ca. 3 kHz. Using the laboratory predictions, this radical is detected in the cold dark cloud TMC-1 using the Yebes 40m telescope and the QUIJOTE line survey. The 404-303 and 505-404 rotational transitions, composed of several hyperfine components, were observed in the 31.0-50.4 GHz range. Adopting a rotational temperature of 6K we derive a column density of (1.4+/-0.2)e11 cm-2 and (1.1+/-0.2)e11 cm-2 for ortho-H2CCCN and para-H2CCCN, respectively. The reactions C + CH3CN, and perhaps also N + CH2CCH, emerge as the most likely routes to H2CCCN in TMC-1.

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arXiv2023

The abundance and excitation of molecular anions in interstellar clouds

We report new observations of molecular anions with the Yebes 40m and IRAM 30m telescopes toward the cold dense clouds TMC-1 CP, Lupus-1A, L1527, L483, L1495B, and L1544. We detected for the first time C3N- and C5N- in Lupus-1A and C4H- and C6H- in L483. In addition, we report new lines of C6H- toward the six targeted sources, of C4H- toward TMC-1 CP, Lupus-1A, and L1527, and of C8H- and C3N- in TMC-1 CP. Excitation calculations indicate that the lines of anions accessible to radiotelescopes run from subthermally excited to thermalized as the size of the anion increases, with the degree of departure from thermalization depending on the H2 volume density and the line frequency. We noticed that the collision rate coefficients available for the radical C6H cannot explain various observational facts, which advises for a revisitation of the collision data for this species. The observations presented here, together with observational data from the literature, are used to model the excitation of interstellar anions and to constrain their abundances. In general, the anion-to-neutral ratios derived here agree within 50 % (a factor of two at most) with literature values, when available, except for the C4H-/C4H ratio, which shows higher differences due to a revision of the dipole moment of C4H. From the set of anion-to-neutral abundance ratios derived two conclusions can be drawn. First, the C6H-/C6H ratio shows a tentative trend in which it increases with increasing H2 density, as expected from theoretical grounds. And second, it is incontestable that the higher the molecular size the higher the anion-to-neutral ratio, which supports a formation mechanism based on radiative electron attachment. Nonetheless, calculated rate coefficients for electron attachment to the medium size species C4H and C3N are probably too high and too low, respectively, by more than one order of magnitude.

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arXiv2023

Discovery of H$_2$CCCH$^+$ in TMC-1

Based on a novel laboratory method, 14 mm-wave lines of the molecular ion H$_2$CCCH$^+$ have been measured in high resolution, and the spectroscopic constants of this asymmetric rotor determined with high accuracy. Using the Yebes 40 m and IRAM 30 m radio telescopes, we detect four lines of H$_2$CCCH$^+$ towards the cold dense core TMC-1. With a dipole moment of about 0.55 Debye obtained from high-level ab initio calculations, we derive a column density of 5.4$\pm$1$\times$10$^{11}$ cm$^{-2}$ and 1.6$\pm$0.5$\times$10$^{11}$ cm$^{-2}$ for the ortho and para species, respectively, and an abundance ratio N(H$_2$CCC)/N(H$_2$CCCH$^+$)= 2.8$\pm$0.7. The chemistry of H$_2$CCCH$^+$ is modelled using the most recent chemical network for the reactions involving the formation of H$_2$CCCH$^+$. We find a reasonable agreement between model predictions and observations, and new insights into the chemistry of C$_3$ bearing species in TMC-1 are obtained.

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arXiv2023

The spatial distribution of an aromatic molecule, C6H5CN, in the cold dark cloud TMC-1

We present a highly sensitive 2D line survey of TMC-1 obtained with the Yebes 40m radio telescope in the Q-band (31.13-49.53 GHz). These maps cover a region of 320 arcsec x 320 arcsec centred on the position of the QUIJOTE line survey with a spatial sampling of 20 arcsec. The region covering 240 arcsec x 240 arcsec, where a longer integration time was used, shows a homogenous sensitivity of 2-4 mK across the band. We present in this work the first determination of the spatial extent of benzonitrile (C6H5CN), which follows that of cyanopolyynes rather well, but differs significantly from that of the radicals CnH and CnN. We definitively conclude that aromatic species in TMC-1 are formed from chemical reactions involving smaller species in the densest zones of the cloud.

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arXiv2023

Discovery of two metallic cyanoacetylides in IRC+10216: HMgCCCN and NaCCCN

We report on the detection of a series of six lines in the ultra-deep Q-band integration toward IRC+10216 carried out with the Yebes 40m telescope, which are in harmonic relation with integer quantum numbers J from 12 to 18. After a detailed analysis of all possible carriers, guided by high-level quantum chemical calculations, we conclude that the lines belong to HMgCCCN, named hydromagnesium cyanoacetylide. The rotational temperature and column density derived for HMgCCCN are 17.1 +/- 2.8K and (3.0 +/- 0.6) e12 cm-2, respectively. The observed abundance ratio between MgCCCN and HMgCCCN is 3. In addition, we report the discovery in space, also toward IRC+10216, of sodium cyanoacetylide, NaCCCN, for which accurate laboratory data are available. For this species we derive a rotational temperature of 13.5 +/- 1.7K and a column density of (1.2 +/- 0.2) e11 cm-2.

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arXiv2023

Detection of ethanol, acetone, and propanal in TMC-1: New O-bearing complex organics in cold sources

We present the detection of ethanol (C2H5OH), acetone (CH3COCH3), and propanal (C2H5CHO) toward the cyanopolyyne peak of TMC-1. These three O-bearing complex organic molecules are known to be present in warm interstellar clouds, but had never been observed in a starless core. The addition of these three new pieces to the puzzle of complex organic molecules in cold interstellar clouds stresses the rich chemical diversity of cold dense cores in stages prior to the onset of star formation. The detections of ethanol, acetone, and propanal were made in the framework of QUIJOTE, a deep line survey of TMC-1 in the Q band that is being carried out with the Yebes 40m telescope. We derive column densities of (1.1 +/- 0.3)e12 cm-2 for C2H5OH, (1.4 +/- 0.6)e11 cm-2 for CH3COCH3, and (1.9 +/- 0.7)e11 cm-2 for C2H5CHO. The formation of these three O-bearing complex organic molecules is investigated with the aid of a detailed chemical model which includes gas and ice chemistry. The calculated abundances at a time around 2e5 yr are in reasonable agreement with the values derived from the observations. The formation mechanisms of these molecules in our chemical model are as follows. Ethanol is formed on grains by addition of atomic carbon on methanol followed by hydrogenation and non-thermal desorption. Acetone and propanal are produced by the gas-phase reaction between atomic oxygen and two different isomers of the C3H7 radical, where the latter follows from the hydrogenation of C3 on grains followed by non-thermal desorption. A gas-phase route involving the formation of (CH3)2COH+ through several ion-neutral reactions followed by its dissociative recombination with electrons do also contribute to the formation of acetone.

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arXiv2023

The chemistry of H2NC in the interstellar medium and the role of the C + NH3 reaction

We carried out an observational search for the recently discovered molecule H2NC, and its more stable isomer H2CN, toward eight cold dense clouds (L1544, L134N, TMC-2, Lupus-1A, L1489, TMC-1 NH3, L1498, and L1641N) and two diffuse clouds (B0415+379 and B0355+508) in an attempt to constrain its abundance in different types of interstellar regions and shed light on its formation mechanism. We detected H2NC in most of the cold dense clouds targeted, 7 out of 8, while H2CN was only detected in 5 out of 8 clouds. The column densities derived for both H2NC and H2CN are in the range 1e11-1e12 cm-2 and the abundance ratio H2NC/H2CN varies between 0.51 and >2.7. The metastable isomer H2NC is therefore widespread in cold dense clouds where it is present with an abundance similar to that of H2CN. We did not detect either H2NC or H2CN in any of the two diffuse clouds targeted, which does not allow to shed light on how the chemistry of H2NC and H2CN varies between dense and diffuse clouds. We found that the column density of H2NC is correlated with that of NH3, which strongly suggests that these two molecules are chemically linked, most likely ammonia being a precursor of H2NC through the C + NH3 reaction. We performed electronic structure and statistical calculations which show that both H2CN and H2NC can be formed in the C + NH3 reaction through two different channels involving two different transition states which lie very close in energy. The predicted product branching ratio H2NC/H2CN is very method dependent but values between 0.5 and 0.8 are the most likely ones. Therefore, both the astronomical observations and the theoretical calculations support that the reaction C + NH3 is the main source of H2NC in interstellar clouds.

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arXiv2023

Discovery of CH3CHCO in TMC-1 with the QUIJOTE line survey

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 column density of N=(2.2+-0.3)x10^11 cm-2, which results in an abundance ratio CH2CHCHO/CH3CHCO of 1.5. The next non-detected isomer with the lowest energy is cis-propenal, which is therefore a good candidate for future discovery. We have carried out an in-depth study of the possible gas-phase chemical reactions involving methyl ketene to explain the abundance detected, achieving good agreement between chemical models and observations.

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arXiv2023

Discovery of the C7N- anion in TMC-1 and IRC+10216

We report on the discovery of the C7N- anion towards the starless core TMC-1 and towards the carbon-rich evolved star IRC+10216. We used the data of the QUIJOTE line survey towards TMC-1 and found six lines in perfect harmonic frequency relation from J=27-26 up to J=32-31. The frequency of the lines can be reproduced with a rotational constant and a distortion constant of B=582.68490+/-0.00024 MHz and D=4.01+/-0.13 Hz, respectively. The standard deviation of the fit is 4 kHz. Towards IRC+10216, we identify 17 lines from J=27-26 up to J=43-42; their frequencies are also in harmonic relation, providing B=582.6827+/-0.00085 MHz and D=3.31+/-0.31 Hz. The nearly exact coincidence of the rotational and distortion constants in both sources points unambiguously to a common molecular carrier. Taking into account the chemical peculiarities of both sources, the carrier could be a radical or an anion. The radical can be discarded, as the observed lines belong to a singlet species. Hence, the most plausible carrier is an anion. High-level ab initio calculations indicate that C7N-, for which we compute a rotational constant of B=582.0 MHz and a dipole moment of 7.5 D, is the carrier of the lines in both sources. We predict the neutral C7N to have a ground electronic state 2Pi and a dipole moment around 1 D. Because of this low dipole moment value and to its much larger rotational partition function, its lines are expected to be well below the sensitivity of our data for both sources.

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arXiv2022

Discovery of interstellar NC4NH+: dicyanopolyynes are indeed abundant in space

The previous detection of two species related to the non polar molecule cyanogen (NCCN), its protonated form (NCCNH+) and one metastable isomer (CNCN), in cold dense clouds supported the hypothesis that dicyanopolyynes are abundant in space. Here we report the first identification in space of NC4NH+, which is the protonated form of NC4N, the second member of the series of dicyanopolyynes after NCCN. The detection was based on the observation of six harmonically related lines within the Yebes 40m line survey of TMC-1 QUIJOTE. The six lines can be fitted to a rotational constant B = 1293.90840 +/- 0.00060 MHz and a centrifugal distortion constant D = 28.59 +/- 1.21 Hz. We confidently assign this series of lines to NC4NH+ based on high-level ab initio calculations, which supports the previous identification of HC5NH+ by Marcelino et al. (2020) from the observation of a series of lines with a rotational constant 2 MHz lower than that derived here. The column density of NC4NH+ in TMC-1 is (1.1 +1.4 -0.6)e10 cm-2, which implies that NC4NH+ is eight times less abundant than NCCNH+. The species CNCN, previously reported toward L483 and tentatively in TMC-1, is confirmed in this latter source. We estimate that NCCN and NC4N are present in TMC-1 with abundances a few times to one order of magnitude lower than HC3N and HC5N, respectively. This means that dicyanopolyynes NC-(CC)n-CN are present at a lower level than the corresponding monocyanopolyynes HCC-(CC)n-CN. The reactions of the radicals CN and C3N with HNC arise as the most likely formation pathways to NCCN and NC4N in cold dense clouds.

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arXiv2022

Gas phase Elemental abundances in Molecular cloudS (GEMS) VII. Sulfur elemental abundance

Gas phase Elemental abundances in molecular CloudS (GEMS) is an IRAM 30m large program aimed at determining the elemental abundances of carbon (C), oxygen (O), nitrogen (N), and sulfur (S) in a selected set of prototypical star-forming filaments. In particular, the elemental abundance of S remains uncertain by several orders of magnitude and its determination is one of the most challenging goals of this program. We have carried out an extensive chemical modeling of the fractional abundances of CO, HCO$^+$, HCN, HNC, CS, SO, H$_2$S, OCS, and HCS$^+$ to determine the sulfur depletion toward the 244 positions in the GEMS database. These positions sample visual extinctions from A$_V$ $\sim$ 3 mag to $>$50 mag, molecular hydrogen densities ranging from a few 10$^3$~cm$^{-3}$ to 3$\times$10$^6$~cm$^{-3}$, and T$_k$ $\sim$ 10$-$35 K. Most of the positions in Taurus and Perseus are best fitted assuming early-time chemistry, t=0.1 Myr, $ζ_{H_2}$$\sim$ (0.5$-$1)$\times$10$^{-16}$ s$^{-1}$, and [S/H]$\sim$1.5$\times$10$^{-6}$. On the contrary, most of the positions in Orion are fitted with t=1~Myr and $ζ_{H_2}$$\sim$ 10$^{-17}$ s$^{-1}$. Moreover, $\sim$40% of the positions in Orion are best fitted assuming the undepleted sulfur abundance, [S/H]$\sim$1.5$\times$10$^{-5}$. Our results suggest that sulfur depletion depends on the environment. While the abundances of sulfur-bearing species are consistent with undepleted sulfur in Orion, a depletion factor of $\sim$20 is required to explain those observed in Taurus and Perseus. We propose that differences in the grain charge distribution in the envelopes of the studied clouds might explain these variations. The shocks associated with past and ongoing star formation could also contribute to enhance [S/H] in Orion.

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arXiv2022

Discovery of two new interstellar molecules with QUIJOTE: HCCCHCCC and HCCCCS

We report on the discovery of two new molecules, HCCCHCCC and HCCCCS, towards the starless core TMC-1 in the Taurus region from the QUIJOTE line survey in the 31.1-50.2 GHz frequency range. We identify a total of twenty-nine lines of HCCCHCCC and six rotational transitions of HCCCCS. The rotational quantum numbers range from Ju=10 up to 15 and Ka <=2 for HCCCHCCC and Ju=21/2 up to 31/2 for HCCCCS. We derived a column density for HCCCHCCC of N=(1.3+/-0.2)x10^11 cm-2 with a rotational temperature of 6+/-1 K, while for HCCCCS we derived N=(9.5+/-0.8)x10^10 cm-2 and Trot =10+/-1 K. The abundance of HCCCHCCC is higher than that of its recently discovered isomer, l-H2C6. If we compare HCCCCS with its related molecules, HCS and HCCS, we obtain abundance ratios HCS/HCCCCS=58 and HCCS/HCCCCS=7.2. We investigated the formation of these two molecules using chemical modelling calculations. The observed abundances can be accounted for by assuming standard gas-phase formation routes involving neutral-neutral reactions and ion-neutral reactions.

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arXiv2022

Discovery of CH2CCHC4H and a rigorous detection of CH2CCHC3N in TMC-1 with the QUIJOTE line survey

Using the QUIJOTE line survey in the 32.0-50.4 GHz range, we report the discovery of the molecule CH2CCHC4H towards the prestellar cold core TMC-1 in the Taurus region. We also present a rigorous detection of CH2CCHC3N, along with its detailed analysis. We identified a total of twenty rotational transitions for each one of these molecules. The rotational quantum numbers range from Ju=17 up to 24 and Ka<=3. The column density for CH2CCHC4H is N=(2.2+/-0.2)x 1E12 cm-2, while for CH2CCHC3N, we derived N=(1.2+/-0.15) x 1E11 cm-2. The rotational temperature is 9.0+/-0.5 K for both species. The abundance ratio between CH2CCHC4H and CH2CCHC3N is 18+/-4. We also compared the column densities of these species with those of their isomers CH3C6H and CH3C5N, derived from their J=20-19 up to J=30-29 rotational transitions observed with the QUIJOTE line survey. The observed abundances for all these species are reasonably well explained by state-of-the-art chemical models of TMC-1. The observed astronomical frequencies were merged with laboratory frequencies from the literature to derive improved spectroscopic parameters.

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arXiv2022

A new protonated molecule discovered in TMC-1: HCCNCH+

In recent years we have seen an important increase in the number of protonated molecules detected in cold dense clouds. Here we report the detection in TMC-1 of HCCNCH+, the protonated form of HCCNC, which is a metastable isomer of HC3N. This is the first protonated form of a metastable isomer detected in a cold dense cloud. The detection was based on observations carried out with the Yebes 40m and IRAM 30m telescopes, which revealed four harmonically related lines. We derive a rotational constant B = 4664.431891 +/- 0.000692 MHz and a centrifugal distortion constant D = 519.14 +/- 4.14 Hz. From a high-level ab initio screening of potential carriers we confidently assign the series of lines to the ion HCCNCH+. We derive a column density of (3.0 +/- 0.5)e10 cm-2 for HCCNCH+, which results in a HCCNCH+/HCCNC abundance ratio of 0.010 +/- 0.002. This value is well reproduced by a state-of-the-art chemical model, which however is subject to important uncertainties regarding the chemistry of HCCNCH+. The observational and theoretical status of protonated molecules in cold dense clouds indicate that there exists a global trend in which protonated-to-neutral abundance ratios MH+/M increase with increasing proton affinity of the neutral M, although if one restricts to species M with high proton affinities (>700 kJ/mol), MH+/M ratios fall in the range 0.001-0.1, with no apparent correlation with proton affinity. We suggest various protonated molecules that are good candidates for detection in cold dense clouds in the near future.

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arXiv2022

Discovery of a new molecular ion, HC7NH+, in TMC-1

We report the detection of the protonated form of HC7N in TMC-1. The discovery of the cation HC7NH+ was carried out via the observation of nine harmonically related lines in the Q-band using the Yebes 40m radiotelescope. The observed frequencies allowed us to obtain the rotational constants B_0=553.938802(160)MHz and D_0=3.6292(705) Hz. The identification of HC7NH+ is further supported by accurate ab initio calculations. We derived a column density of (5.5+/-0.7)e10 cm-2, which constitutes another piece of evidence for the identification of the carrier. In addition, we revised the HC7N column density and we derived a new value of (2.1+/-0.2)e13cm-2. Hence, the abundance ratio HC7N/HC7NH+ is 380, while those for HC3N/HC3NH+ and HC5N/HC5NH+ are 230 and 240, respectively. Here, we discuss these results within the framework of a chemical model for protonated molecules in cold dense clouds.

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arXiv2022

Discovery of C5H+ and detection of C3H+ in TMC-1 with the QUIJOTE line survey

We report the discovery of the C5H+ cation toward TMC-1 with the QUIJOTE line survey. Four lines from J=7-6 up to J=10-9 have been identified in perfect harmonic frequency relation that can be fit with B=2411.94397 +/-0.00055 MHz and D=138+/-3 Hz. The standard deviation of the fit is 4.4 kHz. After discarding potential candidates, C5H- among them, we conclude that the carrier is C5H+, for which accurate ab initio calculations provide B=2410.3 MHz. We also report for the first time in a cold starless core the detection of the C3H+ cation. The column densities we derive for C5H+ and C3H+ are (8.8+/-0.5)e10 cm-2 and (2.4+/-0.2)e10 cm-2, respectively. Hence, the C5H+/C3H+ abundance ratio is 3.7+/-0.5. The fact that C5H+ is more abundant than C3H+ is well explained by dedicated chemical models and is due to the slow reactivity of C5H+ with H2, while C3H+ reacts with H2.

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