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Karan Molaverdikhani

Publications and source records attributed to Karan Molaverdikhani.

At least 19 recordsLinked to original sources

Probing Exoplanetary Chemistry with Ariel: Scientific Priorities and Observational Strategies

Over the past two decades, increasingly precise observations have revealed that exoplanet atmospheres are chemically diverse and often far from equilibrium, with processes such as vertical mixing, photochemistry, and atmospheric circulation producing significant departures from thermochemical expectations. As large surveys across a wide range of planets begin to uncover population-level chemical trends, a coherent interpretation of these patterns remains elusive, particularly for gas giants and Neptune-like planets where disequilibrium processes likely dominate. The ESA Ariel mission will provide the first homogeneous, statistically significant atmospheric dataset for nearly a thousand exoplanets, offering an unprecedented opportunity to investigate the origins of chemical diversity across planetary populations. This white paper highlights central scientific questions for understanding atmospheric chemistry and recognized as priorities for the community. These questions span the mechanisms driving disequilibrium chemistry, the role of sulfur- and phosphorus-bearing species, the influence of stellar activity, the formation of haze precursors, and the chemical evolution of atmospheres around stars of different ages and types. Because these topics connect chemistry, physics, and planetary evolution, they form the core focus of the Ariel Chemistry Working Group, which synthesizes current knowledge and identifies the diagnostics best addressed by Ariel's spectral capabilities. For each theme, we outline observational strategies and representative targets already included in the Mission Candidate Sample, illustrating Ariel's ability to address these questions. By linking large-scale observations to predictive atmospheric models, this work supports refinement of Ariel's target selection and enables population-level studies that will transform our understanding of planetary atmospheres.

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Atmospheric retrieval evidence for water isotopologue HDO on exoplanet WASP-39b

Hydrogen-isotopologues are commonly used to trace the chemical processing and origin of hydrogen-bearing species throughout the Universe, however, their abundance remains unconstrained for extrasolar planets. Here, we report atmospheric retrieval evidence for the deuterated water molecule HDO in an exoplanet atmosphere, retrieved from James Webb Space Telescope transmission spectra of the hot Jupiter WASP-39 b, resulting in a deuterium-to-hydrogen ratio in water of $4.0^{+1.3}_{-1.1} \times 10^{-3}$. The inferred value is substantially higher than those measured for the Solar System gas giants and overlaps numerically with values reported for some protostellar and inner Solar System environments. This enrichment may reflect either inherited water-rich material accreted beyond the snow line or isotopic processing in the observable atmosphere through transport, photochemistry, and subsequent escape.

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Habitability of Tidally Heated H$_2$-Dominated Exomoons around Free-Floating Planets

Exomoons around free-floating planets (FFPs) can survive their host planet's ejection. Such ejections can increase their orbital eccentricity, providing significant tidal heating in the absence of any stellar energy source. Previous studies suggested that liquid water could exist on such moons under thick CO$_2$-dominated atmospheres, but these models faced challenges with CO$_2$ condensation and atmospheric collapse, particularly in the high-pressure regimes that favoured long-term habitability. To address this, we employ a self-consistent model, including radiative transfer and equilibrium chemistry with condensation, to simulate a more stable hydrogen-dominated atmosphere for a range of initial chemical compositions, including C, O, and N. We find that such atmospheres can effectively trap heat via collision-induced absorption of H$_2$, maintaining surface temperatures suitable for liquid water for time-scales of up to 4.3 Gyr, depending on the surface pressure, while not prone to condensation-induced collapse. Wet-dry cycling caused by the strong tides together with the alkalinity of dissolved NH$_3$ could create favourable conditions for RNA polymerisation and thus support the emergence of life.

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Data availability and requirements relevant for the Ariel space mission and other exoplanet atmosphere applications

The goal of this white paper is to provide a snapshot of the data availability and data needs primarily for the Ariel space mission, but also for related atmospheric studies of exoplanets and brown dwarfs. It covers the following data-related topics: molecular and atomic line lists, line profiles, computed cross-sections and opacities, collision-induced absorption and other continuum data, optical properties of aerosols and surfaces, atmospheric chemistry, UV photodissociation and photoabsorption cross-sections, and standards in the description and format of such data. These data aspects are discussed by addressing the following questions for each topic, based on the experience of the "data-provider" and "data-user" communities: (1) what are the types and sources of currently available data, (2) what work is currently in progress, and (3) what are the current and anticipated data needs. We present a GitHub platform for Ariel-related data, with the goal to provide a go-to place for both data-users and data-providers, for the users to make requests for their data needs and for the data-providers to link to their available data. Our aim throughout the paper is to provide practical information on existing sources of data whether in databases, theoretical, or literature sources.

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Horizontal and vertical exoplanet thermal structure from a JWST spectroscopic eclipse map

Highly-irradiated giant exoplanets known as "ultra-hot Jupiters" are anticipated to exhibit large variations of atmospheric temperature and chemistry as a function of longitude, latitude, and altitude. Previous observations have hinted at these variations, but the existing data have been fundamentally restricted to probing hemisphere-integrated spectra, thereby providing only coarse information on atmospheric gradients. Here we present a spectroscopic eclipse map of an extrasolar planet, resolving the atmosphere in multiple dimensions simultaneously. We analyze a secondary eclipse of the ultra-hot Jupiter WASP-18b observed with the NIRISS instrument on JWST. The mapping reveals weaker longitudinal temperature gradients than were predicted by theoretical models, indicating the importance of hydrogen dissociation and/or nightside clouds in shaping global thermal emission. Additionally, we identify two thermally distinct regions of the planet's atmosphere: a "hotspot" surrounding the substellar point and a "ring" near the dayside limbs. The hotspot region shows a strongly inverted thermal structure due to the presence of optical absorbers and a water abundance marginally lower than the hemispheric average, in accordance with theoretical predictions. The ring region shows colder temperatures and poorly constrained chemical abundances. Similar future analyses will reveal three-dimensional thermal, chemical, and dynamical properties of a broad range of exoplanet atmospheres.

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Testing the performance of cross-correlation techniques to search for molecular features in JWST NIRSpec G395H observations of transiting exoplanets

Cross-correlations techniques offer an alternative method to search for molecular species in JWST observations of exoplanet atmospheres. In a previous article, we applied cross-correlation functions for the first time to JWST NIRSpec/G395H observations of exoplanet atmospheres, resulting in a detection of CO in the transmission spectrum of WASP-39b and a tentative detection of CO isotopologues. Here we present an improved version of our cross-correlation technique and an investigation into how efficient the technique is when searching for other molecules in JWST NIRSpec/G395H data. Our search results in the detection of more molecules via cross-correlations in the atmosphere of WASP-39b, including $\rm H_{2}O$ and $\rm CO_{2}$, and confirms the CO detection. This result proves that cross-correlations are a robust and computationally cheap alternative method to search for molecular species in transmission spectra observed with JWST. We also searched for other molecules ($\rm CH_{4}$, $\rm NH_{3}$, $\rm SO_{2}$, $\rm N_{2}O$, $\rm H_{2}S$, $\rm PH_{3}$, $\rm O_{3}$ and $\rm C_{2}H_{2}$) that were not detected, for which we provide the definition of their cross-correlation baselines for future searches of those molecules in other targets. We find that that the cross-correlation search of each molecule is more efficient over limited wavelength regions of the spectrum, where the signal for that molecule dominates over other molecules, than over broad wavelength ranges. In general we also find that Gaussian normalization is the most efficient normalization mode for the generation of the molecular templates.

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Deep Mantle-Atmosphere Coupling and Carbonaceous Bombardment: Options for Biomolecule Formation on an Oxidized Early Earth

Understanding what environmental conditions prevailed on early Earth during the Hadean eon, and how this set the stage for the origins of life, remains a challenge. Geologic processes such as serpentinization and bombardment by chondritic material during the late veneer might have been very active, shaping an atmospheric composition reducing enough to allow efficient photochemical synthesis of HCN, one of the key precursors of prebiotic molecules. HCN can rain out and accumulate in warm little ponds (WLPs), forming prebiotic molecules such as nucleobases and the sugar ribose. These molecules could condense to nucleotides, the building blocks of RNA molecules, one of the ingredients of life. Here, we perform a systematic study of potential sources of reducing gases on Hadean Earth and calculate the concentrations of prebiotic molecules in WLPs based on a comprehensive geophysical and atmospheric model. We find that in a reduced H$_2$-dominated atmosphere, carbonaceous bombardment can produce enough HCN to reach maximum WLP concentrations of $\sim 1-10\,\mathrm{mM}$ for nucleobases and, in the absence of seepage, $\sim 10-100\,\mathrm{μM}$ for ribose. If the Hadean atmosphere was initially oxidized and CO$_2$-rich ($90\,\%$), we find serpentinization alone can reduce the atmosphere, resulting in WLP concentrations of an order of magnitude lower than the reducing carbonaceous bombardment case. In both cases, concentrations are sufficient for nucleotide synthesis, as shown in experimental studies. RNA could have appeared on Earth immediately after it became habitable (about $100\,\mathrm{Myr}$ after the Moon-forming impact), or it could have (re)appeared later at any time up to the beginning of the Archean.

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Polycyclic Aromatic Hydrocarbons (PAHs) as an Extraterrestrial Atmospheric Technosignature

Polycyclic Aromatic Hydrocarbons are prevalent in the universe and interstellar medium but are primarily attributed to anthropogenic sources on Earth, such as fossil fuel combustion and firewood burning. Drawing upon the idea of PAHs as suitable candidates for technosignatures, we investigate the detectability of those PAHs that have available absorption cross-sections in the atmospheres of Earth-like exoplanets (orbiting G-type stars at a distance of 10 parsecs) with an 8m mirror of Habitable Worlds Observatory (HWO). Specifically, we focus on Naphthalene, Anthracene, Phenanthrene, and Pyrene. Our simulations indicate that under current Earth-like conditions, detecting PAH signatures between 0.2-0.515 $\mathrm{μm}$ is infeasible. To account for the historical decline in PAH production post-industrial revolution, we explore varying PAH concentrations to assess instrumental capabilities to detect civilizations resembling modern Earth. We also evaluate telescope architectures (6m, 8m, and 10m mirror diameters) to put our results into the context of the future HWO mission. With these four molecules, PAH detection remains infeasible, even at concentrations ten times higher than current levels. While larger mirrors provide some advantages, they fail to resolve the spectral signatures of these molecules with significant signal-to-noise ratios. The UV absorption features of PAHs, caused by $\mathrmπ$-orbital $\rightarrow$ $\mathrm{π^*}$-orbital electronic transitions, serve as valuable markers due to their distinct and detectable nature, preserved by the aromatic stability of PAHs. Additional lab measurements are necessary to gather absorption cross-section data beyond UV for more abundant PAHs. This may help further in improving the detectability of these molecules.

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Polycyclic Aromatic Hydrocarbons in Exoplanet Atmospheres: A Detectability Study

In this paper, we explore the detectability of polycyclic aromatic hydrocarbons (PAHs) under diverse planetary conditions, aiming to identify promising targets for future observations of planetary atmospheres. Our primary goal is to determine the minimum detectable mass fractions of PAHs on each studied planet. We integrate the one-dimensional self consistent model petitCODE with petitRADTRANS, a radiative transfer model, to simulate the transmission spectra of these planets. Subsequently, we employ the PandExo noise simulator using the NIRSpec PRISM instrument aboard the JWST to assess the observability. Then, we conduct a Bayesian analysis through the MULTINEST code. Our findings illustrate that variations in C/O ratios and planet temperatures significantly influence the transmission spectra and the detectability of PAHs. Our results show that planets with [Fe/H]=0 and 1, C/O=0.55, and temperatures around 1200 K are the most promising for detecting PAHs, with detectable mass fractions as low as 10$^{-7}$, or one thousandth of the ISM abundance level. For colder planets with lower metallicities and C/O ratios, as well as hotter planets with carbon-rich atmospheres, PAHs can be detected at abundances around 10$^{-6}$. These results aid our strategy for selecting targets to study PAHs in the atmospheres of exoplanets.

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Detectability of Polycyclic Aromatic Hydrocarbons in the Atmosphere of WASP-6 b with JWST NIRSpec PRISM

Polycyclic Aromatic Hydrocarbons (PAHs) have been detected throughout the universe where they play essential roles in the evolution of their environments. For example, they are believed to affect atmospheric loss rates of close-in planets and might contribute to the pre-biotic chemistry and emergence of life. Despite their importance, the study of PAHs in exoplanet atmospheres has been limited. We aim to evaluate the possibility of detecting PAHs on exoplanets considering future observations using JWST's NIRSpec PRISM mode. The hot Saturn WASP-6 b shows properties that are consistent with a potential PAH presence and is thus used as a case study for this work. Here, we compare the likelihoods of various synthetic haze species and their combinations with the influence of PAHs on the transmission spectrum of WASP-6 b. This is possible by applying the atmospheric retrieval code petitRADTRANS to a collection of data from previous observations. Subsequently, by exploring synthetic, single transit JWST spectra of this planet that include PAHs, we assess if these molecules can be detected in the near future. Previous observations support the presence of cloud/haze species in the spectrum of WASP-6 b. While this may include PAHs, the current data do not confirm their existence unambiguously. Our research suggests that utilizing the JWST for future observations could lead to a notable advancement in the study of PAHs. Employing this telescope, we find that a PAH abundance of approximately 0.1 per cent of the ISM value could be robustly detectable.

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Approximating Rayleigh Scattering in Exoplanetary Atmospheres using Physics-informed Neural Networks (PINNs)

This research introduces an innovative application of physics-informed neural networks (PINNs) to tackle the intricate challenges of radiative transfer (RT) modeling in exoplanetary atmospheres, with a special focus on efficiently handling scattering phenomena. Traditional RT models often simplify scattering as absorption, leading to inaccuracies. Our approach utilizes PINNs, noted for their ability to incorporate the governing differential equations of RT directly into their loss function, thus offering a more precise yet potentially fast modeling technique. The core of our method involves the development of a parameterized PINN tailored for a modified RT equation, enhancing its adaptability to various atmospheric scenarios. We focus on RT in transiting exoplanet atmospheres using a simplified 1D isothermal model with pressure-dependent coefficients for absorption and Rayleigh scattering. In scenarios of pure absorption, the PINN demonstrates its effectiveness in predicting transmission spectra for diverse absorption profiles. For Rayleigh scattering, the network successfully computes the RT equation, addressing both direct and diffuse stellar light components. While our preliminary results with simplified models are promising, indicating the potential of PINNs in improving RT calculations, we acknowledge the errors stemming from our approximations as well as the challenges in applying this technique to more complex atmospheric conditions. Specifically, extending our approach to atmospheres with intricate temperature-pressure profiles and varying scattering properties, such as those introduced by clouds and hazes, remains a significant area for future development.

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Inhomogeneous terminators on the exoplanet WASP-39 b

Transmission spectroscopy has been a workhorse technique over the past two decades to constrain the physical and chemical properties of exoplanet atmospheres. One of its classical key assumptions is that the portion of the atmosphere it probes -- the terminator region -- is homogeneous. Several works in the past decade, however, have put this into question for highly irradiated, hot ($T_{eq}\gtrsim 1000$ K) gas giant exoplanets both empirically and via 3-dimensional modelling. While models predict clear differences between the evening (day-to-night) and morning (night-to-day) terminators, direct morning/evening transmission spectra in a wide wavelength range has not been reported for an exoplanet to date. Under the assumption of precise and accurate orbital parameters on WASP-39 b, here we report the detection of inhomogeneous terminators on the exoplanet WASP-39 b, which allows us to retrieve its morning and evening transmission spectra in the near-infrared ($2-5\ μ$m) using JWST. We observe larger transit depths in the evening which are, on average, $405 \pm 88$ ppm larger than the morning ones, also having qualitatively larger features than the morning spectrum. The spectra are best explained by models in which the evening terminator is hotter than the morning terminator by $177^{+65}_{-57}$ K with both terminators having C/O ratios consistent with solar. General circulation models (GCMs) predict temperature differences broadly consistent with the above value and point towards a cloudy morning terminator and a clearer evening terminator.

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Sulphur dioxide in the mid-infrared transmission spectrum of WASP-39b

The recent inference of sulphur dioxide (SO$_2$) in the atmosphere of the hot ($\sim$1100 K), Saturn-mass exoplanet WASP-39b from near-infrared JWST observations suggests that photochemistry is a key process in high temperature exoplanet atmospheres. This is due to the low ($<$1 ppb) abundance of SO$_2$ under thermochemical equilibrium, compared to that produced from the photochemistry of H$_2$O and H$_2$S (1-10 ppm). However, the SO$_2$ inference was made from a single, small molecular feature in the transmission spectrum of WASP-39b at 4.05 $μ$m, and therefore the detection of other SO$_2$ absorption bands at different wavelengths is needed to better constrain the SO$_2$ abundance. Here we report the detection of SO$_2$ spectral features at 7.7 and 8.5 $μ$m in the 5-12 $μ$m transmission spectrum of WASP-39b measured by the JWST Mid-Infrared Instrument (MIRI) Low Resolution Spectrometer (LRS). Our observations suggest an abundance of SO$_2$ of 0.5-25 ppm (1$σ$ range), consistent with previous findings. In addition to SO$_2$, we find broad water vapour absorption features, as well as an unexplained decrease in the transit depth at wavelengths longer than 10 $μ$m. Fitting the spectrum with a grid of atmospheric forward models, we derive an atmospheric heavy element content (metallicity) for WASP-39b of $\sim$7.1-8.0 $\times$ solar and demonstrate that photochemistry shapes the spectra of WASP-39b across a broad wavelength range.

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Debris Disks can Contaminate Mid-Infrared Exoplanet Spectra: Evidence for a Circumstellar Debris Disk around Exoplanet Host WASP-39

The signal from a transiting planet can be diluted by astrophysical contamination. In the case of circumstellar debris disks, this contamination could start in the mid-infrared and vary as a function of wavelength, which would then change the observed transmission spectrum for any planet in the system. The MIRI/LRS WASP-39b transmission spectrum shows an unexplained dip starting at $\sim$10 $μ$m that could be caused by astrophysical contamination. The spectral energy distribution displays excess flux at similar levels to that which are needed to create the dip in the transmission spectrum. In this article, we show that this dip is consistent with the presence of a bright circumstellar debris disk, at a distance of $>$2 au. We discuss how a circumstellar debris disk like that could affect the atmosphere of WASP-39b. We also show that even faint debris disks can be a source of contamination in MIRI exoplanet spectra.

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Two-Dimensional Eclipse Mapping of the Hot Jupiter WASP-43b with JWST MIRI/LRS

We present eclipse maps of the two-dimensional thermal emission from the dayside of the hot Jupiter WASP-43b, derived from an observation of a phase curve with the JWST MIRI/LRS instrument. The observed eclipse shapes deviate significantly from those expected for a planet emitting uniformly over its surface. We fit a map to this deviation, constructed from spherical harmonics up to order $\ell_{\rm max}=2$, alongside the planetary, orbital, stellar, and systematic parameters. This yields a map with a meridionally-averaged eastward hot-spot shift of $(7.75 \pm 0.36)^{\circ}$, with no significant degeneracy between the map and the additional parameters. We show the latitudinal and longitudinal contributions of the day-side emission structure to the eclipse shape, finding a latitudinal signal of $\sim$200 ppm and a longitudinal signal of $\sim$250 ppm. To investigate the sensitivity of the map to the method, we fix the non-mapping parameters and derive an "eigenmap" fitted with an optimised number of orthogonal phase curves, which yields a similar map to the $\ell_{\rm max}=2$ map. We also fit a map up to $\ell_{\rm max}=3$, which shows a smaller hot-spot shift, with a larger uncertainty. These maps are similar to those produced by atmospheric simulations. We conclude that there is a significant mapping signal which constrains the spherical harmonic components of our model up to $\ell_{\rm max}=2$. Alternative mapping models may derive different structures with smaller-scale features; we suggest that further observations of WASP-43b and other planets will drive the development of more robust methods and more accurate maps.

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Nightside clouds and disequilibrium chemistry on the hot Jupiter WASP-43b

Hot Jupiters are among the best-studied exoplanets, but it is still poorly understood how their chemical composition and cloud properties vary with longitude. Theoretical models predict that clouds may condense on the nightside and that molecular abundances can be driven out of equilibrium by zonal winds. Here we report a phase-resolved emission spectrum of the hot Jupiter WASP-43b measured from 5-12 $μ$m with JWST's Mid-Infrared Instrument (MIRI). The spectra reveal a large day-night temperature contrast (with average brightness temperatures of 1524$\pm$35 and 863$\pm$23 Kelvin, respectively) and evidence for water absorption at all orbital phases. Comparisons with three-dimensional atmospheric models show that both the phase curve shape and emission spectra strongly suggest the presence of nightside clouds which become optically thick to thermal emission at pressures greater than ~100 mbar. The dayside is consistent with a cloudless atmosphere above the mid-infrared photosphere. Contrary to expectations from equilibrium chemistry but consistent with disequilibrium kinetics models, methane is not detected on the nightside (2$σ$ upper limit of 1-6 parts per million, depending on model assumptions).

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The PEPSI Exoplanet Transit Survey (PETS) IV: Assessing the atmospheric chemistry of KELT-20b

Most ultra hot Jupiters (UHJs) show evidence of temperature inversions, in which temperature increases with altitude over a range of pressures. Temperature inversions can occur when there is a species that absorbs the stellar irradiation at a relatively high level of the atmospheres. However, the species responsible for this absorption remains unidentified. In particular, the UHJ KELT-20b is known to have a temperature inversion. Using high resolution emission spectroscopy from LBT/PEPSI we investigate the atomic and molecular opacity sources that may cause the inversion in KELT-20b, as well as explore its atmospheric chemistry. We confirm the presence of Fe I with a significance of 17$σ$. We also report a tentative $4.3σ$ detection of Ni I. A nominally $4.5σ$ detection of Mg I emission in the PEPSI blue arm is likely in fact due to aliasing between the Mg I cross-correlation template and the Fe I lines present in the spectrum. We cannot reproduce a recent detection of Cr I, while we do not have the wavelength coverage to robustly test past detections of Fe II and Si I. Together with non-detections of molecular species like TiO, this suggests that Fe I is likely to be the dominant optical opacity source in the dayside atmosphere of KELT-20b and may be responsible for the temperature inversion. We explore ways to reconcile the differences between our results and those in literature and point to future paths to understand atmospheric variability.

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Detection of Carbon Monoxide in the Atmosphere of WASP-39b Applying Standard Cross-Correlation Techniques to JWST NIRSpec G395H Data

Carbon monoxide was recently reported in the atmosphere of the hot Jupiter WASP-39b using the NIRSpec PRISM transit observation of this planet, collected as part of the JWST Transiting Exoplanet Community Early Release Science (JTEC ERS) Program. This detection, however, could not be confidently confirmed in the initial analysis of the higher resolution observations with NIRSpec G395H disperser. Here we confirm the detection of CO in the atmosphere of WASP-39b using the NIRSpec G395H data and cross-correlation techniques. We do this by searching for the CO signal in the unbinned transmission spectrum of the planet between 4.6 and 5.0 $μ$m, where the contribution of CO is expected to be higher than that of other anticipated molecules in the planet's atmosphere. Our search results in a detection of CO with a cross-correlation function (CCF) significance of $6.6 σ$ when using a template with only ${\rm ^{12}C^{16}O}$ lines. The CCF significance of the CO signal increases to $7.5 σ$ when including in the template lines from additional CO isotopologues, with the largest contribution being from ${\rm ^{13}C^{16}O}$. Our results highlight how cross-correlation techniques can be a powerful tool for unveiling the chemical composition of exoplanetary atmospheres from medium-resolution transmission spectra, including the detection of isotopologues.

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