arXiv subjects

Steven B. Charnley

Publications and source records attributed to Steven B. Charnley.

At least 55 records · Page 3Linked to original sources

arXiv2020

Detection of Cyclopropenylidene on Titan with ALMA

We report the first detection on Titan of the small cyclic molecule cyclopropenylidene (c-C3H2) from high sensitivity spectroscopic observations made with the Atacama Large Millimeter/sub-millimeter Array (ALMA). Multiple lines of cyclopropenylidene were detected in two separate datasets: ~251 GHz in 2016 (Band 6) and ~352 GHz in 2017 (Band 7). Modeling of these emissions indicates abundances of 0.50 +/- 0.14 ppb (2016) and 0.28 +/- 0.08 (2017) for a 350 km step model, which may either signify a decrease in abundance, or a mean value of 0.33 +/- 0.07 ppb. Inferred column abundances are (3-5)E12 cm-2 in 2016 and (1-2)E12 cm-2 in 2017, similar to photochemical model predictions. Previously the C3H3+ ion has been measured in Titan's ionosphere by Cassini's Ion and Neutral Mass Spectrometer (INMS), but the neutral (unprotonated) species has not been detected until now, and aromatic versus aliphatic structure could not be determined by the INMS. Our work therefore represents the first unambiguous detection of cyclopropenylidene, the second known cyclic molecule in Titan's atmosphere along with benzene (C6H6) and the first time this molecule has been detected in a planetary atmosphere. We also searched for the N-heterocycle molecules pyridine and pyrimidine finding non-detections in both cases, and determining 2-σ upper limits of 1.15 ppb (c-C5H5N) and 0.85 ppb (c-C4H4N2) for uniform abundances above 300 km. These new results on cyclic molecules provide fresh constraints on photochemical pathways in Titan's atmosphere, and will require new modeling and experimental work to fully understand the implications for complex molecule formation.

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arXiv2020

Interstellar Detection of the Highly Polar Five-Membered Ring Cyanocyclopentadiene

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 which well reproduce the abundance of many carbon chains. This finding implies either an important production mechanism or a large reservoir of aromatic material may need to be considered. The apparent absence of its closely-related isomer, 2-cyano-1,3-cyclopentadiene, may arise from its lower stability or be indicative of a more selective pathway for formation of the 1-cyano isomer, perhaps one starting from acyclic precursors. The absence of N-heterocycles such as pyrrole and pyridine is discussed in light of the astronomical finding.

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arXiv2020

An Investigation of Spectral Line Stacking Techniques and Application to the Detection of HC$_{11}$N

As the inventory of interstellar molecules continues to grow, the gulf between small species, whose individual rotational lines can be observed with radio telescopes, and large ones, such as polycyclic aromatic hydrocarbons (PAHs) best studied in bulk via infrared and optical observations, is slowly being bridged. Understanding the connection between these two molecular reservoirs is critical to understanding the interstellar carbon cycle, but will require pushing the boundaries of how far we can probe molecular complexity while still retaining observational specificity. Toward this end, we present a method for detecting and characterizing new molecular species in single-dish observations toward sources with sparse line spectra. We have applied this method to data from the ongoing GOTHAM (GBT Observations of TMC-1: Hunting Aromatic Molecules) Green Bank Telescope (GBT) large program, discovering six new interstellar species. In this paper we highlight the detection of HC$_{11}$N, the largest cyanopolyyne in the interstellar medium.

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arXiv2020

Detection of Interstellar HC$_4$NC and an Investigation of Isocyanopolyyne Chemistry under TMC-1 Conditions

We report an astronomical detection of HC$_4$NC for the first time in the interstellar medium with the Green Bank Telescope toward the TMC-1 molecular cloud with a minimum significance of $10.5 σ$. The total column density and excitation temperature of HC$_4$NC are determined to be $3.29^{+8.60}_{-1.20}\times 10^{11}$ cm$^{-2}$ and $6.7^{+0.3}_{-0.3}$ K, respectively, using the MCMC analysis. In addition to HC$_4$NC, HCCNC is distinctly detected whereas no clear detection of HC$_6$NC is made. We propose that the dissociative recombination of the protonated cyanopolyyne, HC$_5$NH$^+$, and the protonated isocyanopolyyne, HC$_4$NCH$^+$, are the main formation mechanisms for HC$_4$NC while its destruction is dominated by reactions with simple ions and atomic carbon. With the proposed chemical networks, the observed abundances of HC$_4$NC and HCCNC are reproduced satisfactorily.

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arXiv2020

Early Science from GOTHAM: Project Overview, Methods, and the Detection of Interstellar Propargyl Cyanide (HCCCH$_2$CN) in TMC-1

We present an overview of the GOTHAM (GBT Observations of TMC-1: Hunting Aromatic Molecules) Large Program on the Green Bank Telescope. This and a related program were launched to explore the depth and breadth of aromatic chemistry in the interstellar medium at the earliest stages of star formation, following our earlier detection of benzonitrile ($c$-C$_6$H$_5$CN) in TMC-1. In this work, details of the observations, use of archival data, and data reduction strategies are provided. Using these observations, the interstellar detection of propargyl cyanide (HCCCH$_2$CN) is described, as well as the accompanying laboratory spectroscopy. We discuss these results, and the survey project as a whole, in the context of investigating a previously unexplored reservoir of complex, gas-phase molecules in pre-stellar sources. A series of companion papers describe other new astronomical detections and analyses.

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arXiv2020

CO, Water, and Possible Methanol in Eta Carinae Approaching Periastron

In circumstellar gas, the complex organic molecule methanol has been found almost exclusively around young stellar objects, and is thus regarded as a signpost of recent star formation. Here we report the first probable detection of methanol around an evolved high-mass star, in the complex circumstellar environment around the Luminous Blue Variable $η$ Carinae, while using ALMA to investigate molecular cloud conditions traced by CO (2-1) in an orbit phase of the massive binary preceding the 2020 periastron. Favoring methanol over a $^{13}$CS alternative, the emission originates from hot ($T_{\rm{gas}} \simeq$ 700 K) material, $\sim$2$''$ (0.02 pc) across, centered on the dust-obscured binary in contrast to the CO which traces inner layers of the extended massive equatorial torus, and is accompanied by prominent absorption in a cooler ($T_{\rm{gas}} \simeq$ 110 K) layer of gas. We also report detections of water in $Herschel$/HIFI observations at 557 GHz and 988 GHz. The methanol abundance is several to 50 times higher than observed towards several lower mass stars, while water abundances are similar to those observed in cool, dense molecular clouds. The very high methanol:water abundance ratio in the core of $η$ Carinae may suggest methanol formation processes similar to Fischer-Tropsch-type catalytic reactions on dust grains. These observations prove that complex molecule formation can occur in the chemically evolved environments around massive stars in the end stages of their evolution, given sufficient gas densities and shielding conditions as may occur in material around massive interacting companions and merger remnants.

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arXiv2019

Complex Organic Molecules in Star-Forming Regions of the Magellanic Clouds

The Large and Small Magellanic Clouds (LMC and SMC), gas-rich dwarf companions of the Milky Way, are the nearest laboratories for detailed studies on the formation and survival of complex organic molecules (COMs) under metal poor conditions. To date, only methanol, methyl formate, and dimethyl ether have been detected in these galaxies - all three toward two hot cores in the N113 star-forming region in the LMC, the only extragalactic sources exhibiting complex hot core chemistry. We describe a small and diverse sample of the LMC and SMC sources associated with COMs or hot core chemistry, and compare the observations to theoretical model predictions. Theoretical models accounting for the physical conditions and metallicity of hot molecular cores in the Magellanic Clouds have been able to broadly account for the existing observations, but fail to reproduce the dimethyl ether abundance by more than an order of magnitude. We discuss future prospects for research in the field of complex chemistry in the low-metallicity environment. The detection of COMs in the Magellanic Clouds has important implications for astrobiology. The metallicity of the Magellanic Clouds is similar to galaxies in the earlier epochs of the Universe, thus the presence of COMs in the LMC and SMC indicates that a similar prebiotic chemistry leading to the emergence of life, as it happened on Earth, is possible in low-metallicity systems in the earlier Universe.

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arXiv2019

Measurement of CH$_3$D on Titan at Submillimeter Wavelengths

We present the first radio/submillimeter detection of monodeuterated methane (CH$_3$D) in Titan's atmosphere, using archival data from of the Atacama Large Millimeter/submillimeter Array (ALMA). The $J_K=2_1-1_1$ and $J_K=2_0-1_0$ transitions at 465.235 and 465.250 GHz ($\sim0.644$ mm) were measured at significance levels of $4.6σ$ and $5.7σ$, respectively. These two lines were modeled using the Non-linear optimal Estimator for MultivariatE spectral analySIS (NEMESIS) radiative transfer code to determine the disk-averaged CH$_3$D volume mixing ratio = $6.157\times10^{-6}$ in Titan's stratosphere (at altitudes $\gt130$ km). By comparison with the CH$_4$ vertical abundance profile measured by Cassini-Huygens mass spectrometry, the resulting value for D/H in CH$_4$ is $(1.033\pm0.081)\times10^{-4}$. This is consistent with previous ground-based and in-situ measurements from the Cassini-Huygens mission, though slightly lower than the average of the previous values. Additional CH$_3$D observations at higher spatial resolution will be required to determine a value truly comparable with the Cassini-Huygens CH$_4$ measurements, by measuring CH$_3$D with ALMA close to Titan's equator. In the post-Cassini era, spatially resolved observations of CH$_3$D with ALMA will enable the latitudinal distribution of methane to be determined, making this an important molecule for further studies.

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arXiv2019

Impacts of Quantum Chemistry Calculations on Exoplanetary Science, Planetary Astronomy, and Astrophysics

Several of NASA missions (TESS, JWST, WFIRST, etc.) and mission concepts (LUVOIR, HabEx, and OST) emphasize the exploration and characterization of exoplanets, and the study of the interstellar medium. We anticipate that a much broader set of chemical environments exists on exoplanets, necessitating data from a correspondingly broader set of chemical reactions. Similarly, the conditions that exist in astrophysical environments are very different from those traditionally probed in laboratory chemical kinetics studies. These are areas where quantum mechanical theory, applied to important reactions via well-validated chemical kinetics models, can fill a critical knowledge gap. Quantum chemical calculations are also introduced to study interior of planets, photochemical escape, and many critical chemical pathways (e.g. prebiotic environments, contaminations, etc.) After years of development of the relevant quantum chemical theories and significant advances in computational power, quantum chemical simulations have currently matured enough to describe real systems with an accuracy that competes with experiments. These approaches, therefore, have become the best possible alternative in many circumstances where performing experiments is too difficult, too expensive, or too dangerous, or simply not possible. In this white paper, several existing quantum chemical studies supporting exoplanetary science, planetary astronomy, and astrophysics are described, and the potential positive impacts of improved models associated with scientific goals of missions are addressed. In the end, a few recommendations from the scientific community to strengthen related research efforts at NASA are provided.

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arXiv2018

High-Resolution SOFIA/EXES Spectroscopy of $\mathrm{SO}_2$ Gas in the Massive Young Stellar Object MonR2 IRS3: Implications for the Sulfur Budget

Sulfur has been observed to be severely depleted in dense clouds leading to uncertainty in the molecules that contain it and the chemistry behind their evolution. Here, we aim to shed light on the sulfur chemistry in young stellar objects (YSOs) by using high-resolution infrared spectroscopy of absorption by the $ν_3$ rovibrational band of SO$_2$ obtained with the Echelon-Cross-Echelle Spectrograph on the Stratospheric Observatory for Infrared Astronomy. Using local thermodynamic equilibrium models we derive physical parameters for the SO$_2$ gas in the massive YSO MonR2 IRS3. This yields a SO$_2$/$\mathrm{H}$ abundance lower limit of $5.6\pm0.5\times10^{-7}$, or $>\!4\%$ of the cosmic sulfur budget, and an intrinsic line width (Doppler parameter) of $b<3.20\;\mathrm{km\;s}^{-1}$. The small line widths and high temperature ($T_\mathrm{ex}=234\pm15\;\mathrm{K}$) locate the gas in a relatively quiescent region near the YSO, presumably in the hot core where ices have evaporated. This sublimation unlocks a volatile sulfur reservoir (e.g., sulfur allotropes as detected abundantly in comet 67P/Churyumov--Gerasimenko), which is followed by SO$_2$ formation by warm, dense gas-phase chemistry. The narrowness of the lines makes formation of SO$_2$ from sulfur sputtered off grains in shocks less likely toward MonR2 IRS3.

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arXiv2018

The Detection of Hot Cores and Complex Organic Molecules in the Large Magellanic Cloud

We report the first extragalactic detection of the complex organic molecules (COMs) dimethyl ether (CH$_3$OCH$_3$) and methyl formate (CH$_3$OCHO) with the Atacama Large Millimeter/submillimeter Array (ALMA). These COMs together with their parent species methanol (CH$_3$OH), were detected toward two 1.3 mm continuum sources in the N 113 star-forming region in the low-metallicity Large Magellanic Cloud (LMC). Rotational temperatures ($T_{\rm rot}\sim130$ K) and total column densities ($N_{\rm rot}\sim10^{16}$ cm$^{-2}$) have been calculated for each source based on multiple transitions of CH$_3$OH. We present the ALMA molecular emission maps for COMs and measured abundances for all detected species. The physical and chemical properties of two sources with COMs detection, and the association with H$_2$O and OH maser emission indicate that they are hot cores. The fractional abundances of COMs scaled by a factor of 2.5 to account for the lower metallicity in the LMC are comparable to those found at the lower end of the range in Galactic hot cores. Our results have important implications for studies of organic chemistry at higher redshift.

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arXiv2017

Very Large Array Ammonia Observations of the HH 111/HH 121 Protostellar System: a Detection of a New Source With a Peculiar Chemistry

We present the results of Very Large Array NH$_{3}$ $(J,K)=(1,1)$ and $(2,2)$ observations of the HH 111/HH 121 protostellar system. HH 111, with a spectacular collimated optical jet, is one of the most well-known Herbig-Haro objects. We report the detection of a new source (NH$_{3}-$S) in the vicinity of HH 111/HH 121 ($\sim$0.03 pc from the HH 111 jet source) in two epochs of the ammonia observations. This constitutes the first detection of this source, in a region which has been thoroughly covered previously by both continuum and spectral line interferometric observations. We study the kinematic and physical properties of HH 111 and the newly discovered NH$_{3}-$S. We also use HCO$^{+}$ and HCN $(J=4-3)$ data obtained with the James Clerk Maxwell Telescope and archival Atacama Large Millimeter/submillimeter Array $^{13}$CO, $^{12}$CO, and C$^{18}$O $(J=2-1)$, N$_2$D$^{+}$ $(J=3-2)$, and $^{13}$CS $(J=5-4)$ data to gain insight into the nature of NH$_{3}-$S. The chemical structure of NH$_3-$S shows evidence for "selective freeze-out", an inherent characteristic of dense cold cores. The inner part of NH$_3-$S shows subsonic non-thermal velocity dispersions indicating a "coherent core", while they increase in the direction of the jets. Archival near- to far-infrared data show no indication of any embedded source in NH$_3-$S. The properties of NH$_3-$S and its location in the infrared dark cloud suggest that it is a starless core located in a turbulent medium with turbulence induced by Herbig-Haro jets and associated outflows. More data is needed to fully understand the physical and chemical properties of NH$_3-$S and if/how its evolution is affected by nearby jets.

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arXiv2017

Chemical complexity induced by efficient ice evaporation in the Barnard 5 molecular cloud

Cold gas-phase water has recently been detected in a cold dark cloud, Barnard 5 located in the Perseus complex, by targeting methanol peaks as signposts for ice mantle evaporation. Observed morphology and abundances of methanol and water are consistent with a transient non-thermal evaporation process only affecting the outermost ice mantle layers, possibly triggering a more complex chemistry. We present the detection of the Complex Organic Molecules (COMs) acetaldehyde and methyl formate as well as formic acid and ketene, and the tentative detection of di-methyl ether towards the methanol hotspot of Barnard 5 located between two dense cores using the single dish OSO 20m, IRAM 30m, and NRO 45m telescopes. The high energy cis- conformer of formic acid is detected, suggesting that formic acid is mostly formed at the surface of interstellar grains and then evaporated. The detection of multiple transitions for each species allows us to constrain their abundances through LTE and non-LTE methods. All the considered COMs show similar abundances between $\sim 1$ and $\sim 10$ % relative to methanol depending on the assumed excitation temperature. The non-detection of glycolaldehyde, an isomer of methyl formate, with a [glycolaldehyde]/[methyl formate] abundance ratio lower than 6 %, favours gas phase formation pathways triggered by methanol evaporation. According to their excitation temperatures derived in massive hot cores, formic acid, ketene, and acetaldehyde have been designated as "lukewarm" COMs whereas methyl formate and di-methyl ether were defined as "warm" species. Comparison with previous observations of other types of sources confirms that "lukewarm" and "warm" COMs show similar abundances in low-density cold gas whereas the "warm" COMs tend to be more abundant than the "lukewarm" species in warm protostellar cores.

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arXiv2016

Externally heated protostellar cores in the Ophiuchus star-forming region

We present APEX 218 GHz observations of molecular emission in a complete sample of embedded protostars in the Ophiuchus star-forming region. To study the physical properties of the cores, we calculate H$_2$CO and c-C$_3$H$_2$ rotational temperatures, both of which are good tracers of the kinetic temperature of the molecular gas. We find that the H$_2$CO temperatures range between 16 K and 124 K, with the highest H$_2$CO temperatures toward the hot corino source IRAS 16293-2422 (69-124 K) and the sources in the $ρ$ Oph A cloud (23-49 K) located close to the luminous Herbig Be star S 1, which externally irradiates the $ρ$ Oph A cores. On the other hand, the c-C$_3$H$_2$ rotational temperature is consistently low (7-17 K) in all sources. Our results indicate that the c-C$_3$H$_2$ emission is primarily tracing more shielded parts of the envelope whereas the H$_2$CO emission (at the angular scale of the APEX beam; 3600 au in Ophiuchus) mainly traces the outer irradiated envelopes, apart from in IRAS 16293-2422, where the hot corino emission dominates. In some sources, a secondary velocity component is also seen, possibly tracing the molecular outflow.

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arXiv2016

On the origin of C$_4$H and CH$_3$OH in protostellar envelopes

The formation pathways of different types of organic molecules in protostellar envelopes and other regions of star formation are subjects of intense current interest. We here present observations of C$_4$H and CH$_3$OH, tracing two distinct groups of interstellar organic molecules, toward 16 protostars in the Ophiuchus and Corona Australis molecular clouds. Together with observations in the literature, we present C$_4$H and CH$_3$OH data from single-dish observations of 40 embedded protostars. We find no correlation between the C$_4$H and CH$_3$OH column densities in this large sample. Based on this lack of correlation, a difference in line profiles between C$_4$H and CH$_3$OH, and previous interferometric observations of similar sources, we propose that the emission from these two molecules is spatially separated, with the CH$_3$OH tracing gas that has been transiently heated to high ($\sim$70-100 K) temperatures, and the C$_4$H tracing the cooler large-scale envelope where CH$_4$ molecules have been liberated from ices. These results provide insight in the differentiation between hot corino and warm carbon-chain chemistry in embedded protostars.

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arXiv2016

A Search for O_2 in CO-depleted Molecular Cloud Cores with Herschel

The general lack of molecular oxygen in molecular clouds is an outstanding problem in astrochemistry. Extensive searches with SWAS, Odin and Herschel have only produced two detections; upper limits to the O_2 abundance in the remaining sources observed are about 1000 times lower than predicted by chemical models. Previous atomic oxygen observations and inferences from observations of other molecules indicated that high abundances of O atoms might be present in dense cores exhibiting large amounts of CO depletion. Theoretical arguments concerning the oxygen gas-grain interaction in cold dense cores suggested that, if O atoms could survive in the gas after most of the rest of the heavy molecular material has frozen out on to dust, then O_2 could be formed efficiently in the gas. Using Herschel HIFI we searched a small sample of four depletion cores - L1544, L694-2, L429, Oph D - for emission in the low excitation O_2 N_J=3_3-1_2 line at 487.249 GHz. Molecular oxygen was not detected and we derive upper limits to its abundance in the range N(O_2)/N(H_2) = (0.6 - 1.6)x10^{-7}. We discuss the absence of O_2 in the light of recent laboratory and observational studies.

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arXiv2016

ALMA Observations of HCN and its Isotopologues on Titan

We present sub-millimeter spectra of HCN isotopologues on Titan, derived from publicly available ALMA flux calibration observations of Titan taken in early 2014. We report the detection of a new HCN isotopologue on Titan, H$^{13}$C$^{15}$, and confirm an earlier report of detection of DCN. We model high signal-to-noise observations of HCN, H$^{13}$CN, HC$^{15}$N, DCN, and H$^{13}$C$^{15}$ to derive abundances and infer the following isotopic ratios: $^{12}$C/$^{13}$C = 89.8 $\pm$ 2.8, $^{14}$N/$^{15}$N = 72.3 $\pm$ 2.2, D/H = (2.5 $\pm$ 0.2)$\times$10$^{-4}$, and HCN/H$^{13}$C$^{15}$ = 5800 $\pm$ 270 (1$σ$ errors). The carbon and nitrogen ratios are consistent with and improve on the precision of previous results, confirming a factor of $\sim$2.3 elevation in $^{14}$N/$^{15}$N in HCN compared to N$_2$ and a lack of fractionation in $^{12}$C/$^{13}$C from the protosolar value. This is the first published measurement of D/H in a nitrile species on Titan, and we find evidence for a factor of $\sim$2 deuterium enrichment in hydrogen cyanide compared to methane. The isotopic ratios we derive may be used as constraints for future models to better understand the fractionation processes occurring in Titan's atmosphere.

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arXiv2016

Isotopic Ratios of Carbon and Oxygen in Titan's CO using ALMA

We report interferometric observations of carbon monoxide (CO) and its isotopologues in Titan's atmosphere using the Atacama Large Millimeter/submillimeter Array (ALMA). The following transitions were detected: CO (J = 1-0, 2-1, 3-2, 6-5), $^{13}$CO (J = 2-1, 3-2, 6-5), C$^{18}$O (J = 2-1, 3-2), and C$^{17}$O (J = 3-2). Molecular abundances and the vertical atmospheric temperature profile were derived by modeling the observed emission line profiles using NEMESIS, a line-by-line radiative transfer code. We present the first spectroscopic detection of $^{17}$O in the outer solar system with C$^{17}$O detected at > 8$σ$ confidence. The abundance of CO was determined to be 49.6 ${\pm}$ 1.8 ppm, assumed to be constant with altitude, with isotopic ratios $^{12}$C/$^{13}$C = 89.9 ${\pm}$ 3.4, $^{16}$O/$^{18}$O = 486 ${\pm}$ 22, and $^{16}$O/$^{17}$O = 2917${\pm}$359. The measurements of $^{12}$C/$^{13}$C and $^{16}$O/$^{18}$O ratios are the most precise values obtained in Titan's atmospheric CO to date. Our results are in good agreement with previous studies and suggest no significant deviations from standard terrestrial isotopic ratios.

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