arXiv subjects

Ankan Das

Publications and source records attributed to Ankan Das.

At least 19 recordsLinked to original sources

arXiv2026

Non-detection of HC(S)SH: Estimating Upper Limits and Constraining Chemistry

The search for dithioformic acid (t-HC(S)SH) in star-forming regions is crucial for understanding interstellar sulfur chemistry and addressing the 'missing sulfur' problem. Motivated by a recent claim of t-HC(S)SH detection in NGC 1333 IRAS 4A2, we independently reanalyzed the same ALMA dataset using comprehensive spectral and chemical modeling. We find no credible evidence for t-HC(S)SH: all reported transitions are fully accounted for by known, abundant molecules, with no unblended features unique to t-HC(S)SH. We critically reassess the reported detection, deriving stringent upper limits on the column density (N_t-HC(S)SH <= 4 x 10^14 cm^-2) and the fractional abundance (<= 1 x 10^-10 relative to H2). Our astrochemical models place these limits in context, showing the claimed detection likely results from spectral blending and inconsistent modeling assumptions. The non-detection aligns with chemical expectations given the rarity of complex and doubly sulfur-substituted molecules in hot corino environments. Furthermore, our analysis establishes a rigorous framework to guide future searches for sulfur-bearing species and highlights the critical importance of thorough line identification and modeling practices in astrochemistry.

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arXiv2026

Herschel/HIFI Observations of Molecular Lines Toward G10.47+0.03

We present a spectral line analysis of the hot molecular core G10.47+0.03 (hereafter, G10). Our aim is to determine molecular abundances and excitation conditions across a wide spectral range inaccessible to ground-based observatories. We utilize archival data from the Herschel Space Observatory, obtained with the Heterodyne Instrument for the Far-Infrared (HIFI). We report here the detection of high-excitation CO, 13CO, and C18O, H2O isotopologues, HCO+, HCN, HNC, CS, C34S, SO, SO2, H2CS, and CH3OH. CO, p-H2O, CS, and HCN show similar velocity profiles with a narrow, blueshifted component, which may be linked to the outer outflow layer. Redshifted wings may indicate inner outflow activity. A Markov Chain Monte Carlo framework is employed to infer column densities and temperatures accurately. We also performed spectral energy distribution fitting to constrain the global physical parameters of G10, providing essential context for interpreting the molecular emission. The MCMC analysis revealed two excitation temperature components: a warm component (30-65 K) and a hot component (90-250 K). The higher temperatures indicate dense, hot gas typical of massive hot cores. The lower temperatures correspond to the warm, less dense envelope around the core. Transitions of H2O, high-excitation CO, and HCN indicate outflowing gas and high-density shocked regions. These findings highlight G10's complex dynamical environment.

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arXiv2025

ALMA Observations of Cold Methanol Gas in the Large Magellanic Cloud (LMC): N79 South GMC

We report ALMA continuum and molecular line observations at 0.1 pc resolution toward the super star cluster (SSC) candidate H72.97-69.39 in the N79 region of the LMC. The continuum emission has a sharp peak around the SSC candidate but is also widely distributed. We identify two continuum sources at the northern (N79S-1) and northwestern (N79S-2) positions of the SSC continuum peak, associated with CH$_3$OH emission. In addition to CH$_3$OH, we also detect H$_2$CO, H$_2$CS, CS, SO, CO, CN, and CCH at the positions of N79S-1 and N79S-2. The rotation diagram analysis of CH$_3$OH and SO lines yields an average gas temperature of 13 $\pm$ 0.4 K for N79S-1 and 15 $\pm$ 0.9 K for N79S-2. Most emission lines exhibit line widths of less than 2.8 km s$^{-1}$, consistent with emissions from cold, dense molecular cloud cores. The abundance of cold CH$_3$OH gas is estimated to be (2.1 $\pm$ 1.1)$\times$ 10$^{-9}$ at N79S-1 and (4.5 $\pm$2.5)$\times$ 10$^{-10}$ at N79S-2. Despite the lower metallicity in the LMC, the CH$_3$OH abundance at N79S-1 is comparable to that of similar cold sources in our Galaxy. However, the formation of organic molecules is inhibited throughout the N79 regions, as can be seen in the non-detection of CH$_3$OH in most of the regions. The two positions N79S-1 and N79S-2 would be exceptional positions, where CH$_3$OH production is efficient. The possible origins of cold CH$_3$OH gas in these dense cores are discussed, along with a possible explanation for the non-detection of CH$_3$OH in the SSC candidate.

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arXiv2025

Radiative transfer modeling of the low-mass proto-binary system, IRAS 4A1 and 4A2

NGC 1333 IRAS4A is a well-studied low-mass sun-like proto-binary system. It has two components, A1 and A2, which are diverse according to their physical and chemical properties. We modeled this hot corino using the RATRAN radiative transfer code and explained different spectral signatures observed towards A1 and A2, specifically for CH3OH and H2CO. Our main goal is to understand the kinematical and chemical differences between A1 and A2 and to classify their dust emission and absorption properties. We considered a simple 1D spherical infalling envelope consisting of collimated outflow in the source. Recent high-resolution interferometric observations of ALMA shed new light on why the same molecular transitions towards A1 and A2 show different spectral profiles. The significant difference between spectral profiles observed towards A1 and A2 is mainly due to the dust opacity effect. Dust continuum emission toward A1 is optically thick, causing the transitions observed in absorption. Meanwhile, A2 is optically thin, leading to the observed emission profiles, and an inverse P-Cygni profile suggests the presence of an infalling envelope. Using high-resolution observations from ALMA and VLA, we expanded our model from the millimeter wavelength range to the centimeter wavelength range. This expansion demonstrates the opacity effect, which is reduced in the centimeter wavelength range, causing us to observe the lines in emission. Using our model, we reproduced the population inversion causing maser emission of methanol 44 GHz and 95 GHz transitions.

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arXiv2025

Binding energy distributions of alcohols, thiols, and their precursors on interstellar water ice surfaces

Binding energy (BE) is a critical parameter in astrochemical modeling, governing the retention of species on interstellar dust grains and their subsequent chemical evolution. However, conventional models often rely on single-valued BEs, overlooking the intrinsic distribution arising from diverse adsorption sites. In this study, we present BEs for monohydric alcohols, thiols, and their plausible precursors, including aldehydes and thioaldehydes. We incorporate a distribution of BEs to capture the realistic variation in adsorption strengths. The quantum chemical calculations provide a range of BE values rather than a single estimate, ensuring a more precise description of molecular diffusion and surface chemistry. The BE trend of analogous species provides qualitative insight into the dominant reaction pathways and key precursors that drive the formation of larger molecules under interstellar conditions. Oxygen-bearing species generally exhibit higher BEs than their sulfur analogues, primarily due to stronger interactions, further influencing molecular adsorption and reactivity. We implemented BE distributions in astrochemical models, revealing significant effects on predicted abundances and establishing a more accurate framework for future astrochemical modeling.

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arXiv2025

The ALMA-QUARKS Survey: III. Clump-to-core fragmentation and search for high-mass starless cores

The Querying Underlying mechanisms of massive star formation with ALMA-Resolved gas Kinematics and Structures (QUARKS) survey observed 139 infrared-bright (IR-bright) massive protoclusters at 1.3 mm wavelength with ALMA. This study investigates clump-to-core fragmentation and searches for candidate high-mass starless cores within IR-bright clumps using combined ALMA 12-m (C-2) and Atacama Compact Array (ACA) 7-m data, providing $\sim$ 1 arcsec ($\sim\rm0.02~pc$ at 3.7 kpc) resolution and $\sim\rm0.6\,mJy\,beam^{-1}$ continuum sensitivity ($\sim 0.3~M_{\odot}$ at 30 K). We identified 1562 compact cores from 1.3 mm continuum emission using getsf. Observed linear core separations ($\lambda_{\rm obs}$) are significantly less than the thermal Jeans length ($\lambda_{\rm J}$), with the $\lambda_{\rm obs}/\lambda_{\rm J}$ ratios peaking at $\sim0.2$. This indicates that thermal Jeans fragmentation has taken place within the IR-bright protocluster clumps studied here. The observed low ratio of $\lambda_{\rm obs}/\lambda_{\rm J}\ll 1$ could be the result of evolving core separation or hierarchical fragmentation. Based on associated signatures of star formation (e.g., outflows and ionized gas), we classified cores into three categories: 127 starless, 971 warm, and 464 evolved cores. Two starless cores have mass exceeding 16$\,M_{\odot}$, and represent high-mass candidates. The scarcity of such candidates suggests that competitive accretion-type models could be more applicable than turbulent core accretion-type models in high-mass star formation within these IR-bright protocluster clumps.

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arXiv2025

The SOFIA Massive (SOMA) Star Formation Q-band Follow-up. II. Hydrogen Recombination Lines Toward High-Mass Protostars

Hydrogen recombination lines (HRLs) are valuable diagnostics of the physical conditions in ionized regions around high-mass stars. Understanding their broadening mechanisms and intensity trends can provide insights into the densities, temperatures, and kinematics of HII regions. We investigate the properties of ionized gas around massive protostars by analyzing hydrogen recombination lines (H-alpha and H-beta) in the Q-band. Observations were conducted using the Yebes 40m radio telescope in the Q-band (30.5~50 GHz) toward six high-mass protostars selected from the SOMA Survey (G45.12+0.13, G45.47+0.05, G28.20-0.05, G35.20-0.74, G19.08-0.29, and G31.28+0.06). The line profiles were analyzed to assess broadening mechanisms, from which electron densities and temperatures were derived. We compared our results with Q-band data from the TianMa 65m Radio Telescope (TMRT) and ALMA Band 1 Science Verification observations of Orion KL. A total of eight H-alpha (n = 51 to 58) and ten H-beta (n = 64 to 73) lines were detected toward G45.12+0.13, G45.47+0.05, and G28.20-0.05, with non-detections in the other sources. Electron densities of ~1-5$\times$10$^6$ cm$^{-3}$ and temperatures of 8000-10000 K were derived. Orion KL shows one order of magnitude lower electron density, but a similar temperature. Notably, G45.12 and G28.20 show increasing intensity with frequency for both H-alpha and H-beta, in contrast to the decreasing trend in Orion KL. The observed line widths indicate contributions from both thermal and dynamical broadening, suggesting high-temperature ionized gas affected by turbulence, outflows, rotation, or stellar winds. Pressure broadening may also play a minor role. The contrasting intensity trends likely reflect differences in local physical conditions or radiative transfer effects, warranting further study through higher-resolution observations and modeling.

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arXiv2025

Metallic species in interstellar medium: Astrochemical modeling

Metal-bearing species in diffuse or molecular clouds are often overlooked in astrochemical modeling except for the charge exchange process. However, catalytic cycles involving these metals can affect the abundance of other compounds. We prepared a comprehensive chemical network for Na, Mg, Al, Fe, K, and Si-containing species. Assuming water as the major constituent of interstellar ice in dark clouds, quantum chemical calculations were carried out to estimate the binding energy of important metallic species, considering amorphous solid water as substrate. Significantly lower binding energies (approximately 5 to 6 times) were observed for Na and Mg, while the value for Fe was roughly 4 times higher than what was used previously. Here, we calculated binding energy values for Al and K, for which no prior guesses were available. The total dipole moments and enthalpies of formation for several newly included species are unknown. Furthermore, the assessment of reaction enthalpies is necessary to evaluate the feasibility of the new reactions under interstellar conditions. These parameters were estimated and subsequently integrated into models. Some additional species that were not included in the UMIST/KIDA database have been introduced. The addition of these new species, along with their corresponding reactions, appears to significantly affect the abundances of related species. Some key reactions that significantly influence general metal-related chemistry include: $\rm{M^+ + H_2 \rightarrow M{H_2}^+ + h\nu}$, $\rm{MH + O \rightarrow MO + H}$ ($\rm{M \ = \ Fe, \ Na, \ Mg, \ Al, \ K}$), and $\rm{M_1^+ + M_2H \rightarrow M_1H + M_2^+}$ (where $\rm{M_1 \neq M_2}$, $M_1, \ M_2 \ = \ Na, \ Mg, \ Al, \ K, \ Fe$). Significant changes were observed in magnesium and sodium-bearing cyanides, isocyanides, and aluminum fluoride when additional reaction pathways were considered.

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arXiv2025

Research on the Interstellar Medium and Star Formation in the Galaxy: An Indian Perspective

Although the star formation process has been studied for decades, many important aspects of the physics involved remain unsolved. Recent advancement of instrumentation in the infrared, far-infrared and sub-millimetre wavelength regimes have contributed to a significantly improved understanding of processes in the interstellar medium (ISM) leading to star formation. The future of research on the ISM and star formation looks exciting with instruments like the JWST, ALMA, etc., already contributing to the topic by gathering high-resolution high-sensitivity data and with several larger ground- and space-bound facilities either being planned or constructed. India has a sizable number of astronomers engaged in research on topics related to the ISM and star formation. In this white paper invited by the Astronomical Society of India to prepare a vision document for Indian astronomy, we review the Indian contributions to the global understanding of the star formation process and suggest areas that require focused efforts both in creating observing facilities and in theoretical front in India, in order to improve the impact of our research in the coming decades.

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arXiv2024

Fate and detectability of rare gas hydride ions in nova ejecta: A case study with nova templates

HeH$^+$ was the first heteronuclear molecule to form in the metal-free Universe after the Big Bang. The molecule gained significant attention following its first circumstellar detection in the young and dense planetary nebula NGC 7027. We target some hydride ions associated with the noble gases (HeH$^+$, ArH$^+$, and NeH$^+$) to investigate their formation in harsh environments like the nova outburst region. We use a photoionization modeling (based on previously published best-fit physical parameters) of the moderately fast ONe type nova, QU Vulpeculae 1984, and the CO type novae, RS Ophiuchi and V1716 Scorpii. Our steady-state modeling reveals a convincing amount of HeH$^+$, especially in the dense clump of RS Ophiuchi and V1716 Scorpii. The calculated upper limit on the surface brightness of HeH$^+$ transitions suggests that the James Webb Space Telescope (JWST) could detect some of them, particularly in sources like RS Ophiuchi and V1716 Scorpii, which have similar physical and chemical conditions and evolution. It must be clearly noted that the sources studied are used as templates, and not as targets for observations. The detection of these lines could be useful for determining the physical conditions in similar types of systems and for validating our predictions based on new electron-impact ro-vibrational collisional data at temperatures of up to 20,000 K.

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arXiv2024

Experimental and computational study of ethanolamine ices at astrochemical conditions

Ethanolamine (NH2CH2CH2OH) has recently been identified in the molecular cloud G+0.693-0.027, situated in the SgrB2 complex in the Galactic center. However, its presence in other regions, and in particular in star-forming sites, is still elusive. Given its likely role as a precursor to simple amino acids, understanding its presence in the star-forming region is required. Here, we present the experimentally obtained temperature-dependent spectral features and morphological behavior of pure ethanolamine ices under astrochemical conditions in the 2 - 12 micro meter (MIR) and 120 - 230 nm (VUV) regions for the first time. These features would help in understanding its photochemical behavior. In addition, we present the first chemical models specifically dedicated to ethanolamine. These models include all the discussed chemical routes from the literature, along with the estimated binding energies and activation energies from quantum chemical calculations reported in this work. We have found that surface reactions: CH2OH + NH2CH2 --> NH2CH2CH2OH and NH2 + C2H4OH --> NH2CH2CH2OH in warmer regions (60-90 K) could play a significant role in the formation of ethanolamine. Our modeled abundance of ethanolamine complements the upper limit of ethanolamine column density estimated in earlier observations in hot core/corino regions. Furthermore, we provide a theoretical estimation of the rotational and distortional constants for various species (such as HNCCO, NH2CHCO, and NH2CH2CO) related to ethanolamine that have not been studied in existing literature. This study could be valuable for identifying these species in the future.

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arXiv2024

Assessing realistic binding energies of some essential interstellar radicals with amorphous solid water. A fully quantum chemical approach

In the absence of laboratory data, state-of-the-art quantum chemical approaches can provide estimates of the binding energy (BE) of interstellar species with grains. Without BE values, contemporary astrochemical models are compelled to utilize wild guesses, often delivering misleading information. Here, we employed a fully quantum chemical approach to estimate the BE of seven diatomic radicals - CH, NH, OH, SH, CN, NS, and NO - that play a crucial role in shaping the interstellar chemical composition, using a suitable amorphous solid water model as a substrate since water is the principal constituent of interstellar ice in dense and shielded regions. While the BEs are compatible with physisorption, the binding of CH in some sites shows chemisorption, in which a chemical bond to an oxygen atom of a water molecule is formed. While no structural change has been observed for the CN radical, it is believed that the formation of a hemibonded system between the outer layer of the water cluster and the radical is the reason for the unusually large BE in one of the binding sites considered in our study. A significantly lower BE for NO, consistent with recent calculations, is obtained, which helps explain the recently observed HONO/NH$_2$OH and HONO/HNO ratios in the low-mass hot corino IRAS 16293-2422 B with chemical models.

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arXiv2023

Chemical evolution of some selected complex organic molecules in low-mass star-forming regions

The destiny of complex organic molecules (COMs) in star-forming regions is interlinked with various evolutionary phases. Therefore, identifying these species in diversified environments of identical star-forming regions would help to comprehend their physical and chemical heritage. We identified multiple COMs utilizing the Large Program `Astrochemical Surveys At IRAM' (ASAI) data, dedicated to chemical surveys in Sun-like star-forming regions with the IRAM 30 m telescope. It was an unbiased survey in the millimetre regime, covering the prestellar core, protostar, outflow region, and protoplanetary disk phase. Here, we have reported some transitions of seven COMs, namely, methanol (CH3OH), acetaldehyde (CH3CHO), methyl formate (CH3OCHO), ethanol (C2H5OH), propynal (HCCCHO), dimethyl ether (CH3OCH3), and methyl cyanide (CH3CN) in some sources L1544, B1-b, IRAS4A, and SVS13A. We found a trend among these species from the derived abundances using the rotational diagram method and MCMC fit. We have found that the abundances of all of the COMs, except for HCCCHO, increase from the L1544 (prestellar core) and peaks at IRAS16293-2422 (class 0 phase). It is noticed that the abundance of these molecules correlate with the luminosity of the sources. The obtained trend is also visible from the previous interferometric observations and considering the beam dilution effect.

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arXiv2023

Digging into the Interior of Hot Cores with ALMA (DIHCA). III: The Chemical Link between NH$_{2}$CHO, HNCO, and H$_{2}$CO

We have analyzed the NH$_{2}$CHO, HNCO, H$_{2}$CO, and CH$_{3}$CN ($^{13}$CH$_{3}$CN) molecular lines at an angular resolution of $\sim 0.3''$ obtained by the Atacama Large Millimeter/submillimeter Array (ALMA) Band 6 toward 30 high-mass star-forming regions. The NH$_{2}$CHO emission has been detected in 23 regions, while the other species have been detected toward 29 regions. A total of 44 hot molecular cores (HMCs) have been identified using the moment 0 maps of the CH$_{3}$CN line. The fractional abundances of the four species have been derived at each HMC. In order to investigate pure chemical relationships, we have conducted a partial correlation test to exclude the effect of temperature. Strong positive correlations between NH$_{2}$CHO and HNCO ($\rho=0.89$) and between NH$_{2}$CHO and H$_{2}$CO (0.84) have been found. These strong correlations indicate their direct chemical links; dual-cyclic hydrogen addition and abstraction reactions between HNCO and NH$_{2}$CHO and gas-phase formation of NH$_{2}$CHO from H$_{2}$CO. Chemical models including these reactions can reproduce the observed abundances in our target sources.

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arXiv2022

Investigating the hot molecular core, G10.47+0.03: A pit of nitrogen-bearing complex organic molecules

Recent observations have shown that Nitrogen-bearing complex organic species are present in large quantities in star-forming regions. Thus, investigating the N-bearing species in a hot molecular core, such as G10.47+0.03, is crucial to understanding the molecular complexity in star-forming regions. They also allow us to investigate the chemical and physical processes that determine the many phases during the structural and chemical evolution of the source in star-forming regions. The aim of this study is to investigate the spatial distribution and the chemical evolution states of N-bearing complex organic molecules in the hot core G10.47+0.03. We used the ALMA archival data of the hot molecular core G10.47+0.03. The extracted spectra were analyzed assuming LTE. Furthermore, robust methods such as MCMC and rotational diagram methods are implemented for molecules for which multiple transitions were identified to constrain the temperature and column density. Finally, we used the Nautilus gas-grain code to simulate the nitrogen chemistry in the hot molecular core. We carried out both 0D and 1D simulations of the source and compared with observational results. We report various transitions of nitrogen-bearing species (NH2CN, HC3N, HC5N, C2H3CN, C2H5CN, and H2NCH2CN) together with some of their isotopologues and isomers. Besides this, we also report the identification of CH3CCH and one of its isotopologues. The emissions originating from vinyl cyanide, ethyl cyanide, cyanoacetylene, and cyanamide are compact, which could be explained by our astrochemical modeling. Our 0D model shows that the chemistry of certain N-bearing molecules can be very sensitive to initial local conditions such as density or dust temperature. In our 1D model, simulated higher abundances of species such as HCN, HC3N, and HC5N toward the inner shells of the source confirm the observational findings.

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arXiv2022

Astrochemical model to study the abundances of branched carbon-chain molecules in a hot molecular core with realistic binding energies

Straight-chain (normal-propyl cyanide, n - C3H7CN) and branched-chain (iso-propyl cyanide, i - C3H7CN) alkyl cyanides are recently identified in the massive star-forming regions (Sgr B2(N) and Orion). These branched-chain molecules indicate that the key amino acids (side-chain structures) may also be present in a similar region. The process by which this branching could propagate towards the higher-order (butyl cyanide, C4H9CN) is an active field of research. Since the grain catalysis process could have formed a major portion of these species, considering a realistic set of binding energies are indeed essential. We employ quantum chemical calculations to estimate the binding energy of these species considering water as a substrate because water is the principal constituent of this interstellar ice. We find significantly lower binding energy values for these species than were previously used. It is noticed that the use of realistic binding energy values can significantly change the abundance of these species. The branching is more favorable for the higher-order alkyl cyanides with the new binding energies. With the inclusion of our new binding energy values and one essential destruction reaction (i - C3H7CN + H -> CH3C(CH3)CN + H2, having an activation barrier of 947 K), abundances of t - C4H9CN dramatically increased.

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arXiv2021

Identification of pre-biotic molecules containing Peptide-like bond in a hot molecular core, G10.47+0.03

After hydrogen, oxygen, and carbon, nitrogen is one of the most chemically active species in the interstellar medium (ISM). Nitrogen bearing molecules have great importance as they are actively involved in the formation of biomolecules. Therefore, it is essential to look for nitrogen-bearing species in various astrophysical sources, specifically around high-mass star-forming regions where the evolutionary history is comparatively poorly understood. In this paper, we report the observation of three potential pre-biotic molecules, namely, isocyanic acid (HNCO), formamide (NH2CHO), and methyl isocyanate (CH3NCO), which contain peptide-like bonds (-NH-C(=O)-) in a hot molecular core, G10.47+0.03 (hereafter, G10). Along with the identification of these three complex nitrogen-bearing species, we speculate their spatial distribution in the source and discuss their possible formation pathways under such conditions. The rotational diagram method under the LTE condition has been employed to estimate the excitation temperature and the column density of the observed species. Markov Chain Monte Carlo method was used to obtain the best suited physical parameters of G10 as well as line properties of some species. We also determined the hydrogen column density and the optical depth for different continuum observed in various frequency ranges. Finally, based on these observational results, we have constructed a chemical model to explain the observational findings. We found that HNCO, NH2CHO, and CH3NCO are chemically linked with each other.

astro-ph.SR↗

arXiv2021

Radiative transfer modeling of the observed line profiles in G31.41+0.31

An inverse P-Cygni profile of H13CO+ (1-0) in G31.41+0.31 was recently observed, which indicates the presence of an infalling gas envelope. Also, an outflow tracer, SiO, was observed. Here, exclusive radiative transfer modelings have been implemented to generate synthetic spectra of some key species (H13 CO+, HCN, SiO, NH3, CH3 CN, CH3OH, CH3SH, and CH3NCO) and extract the physical features to infer the excitation conditions of the surroundings where they observed. The gas envelope is assumed to be accreting in a spherically symmetric system towards the central hot core region. Our principal intention was to reproduce the observed line profiles toward G31.41+0.31 and extract various physical parameters. The LTE calculation with CASSIS and non-LTE analysis with the RATRAN radiative transfer codes are considered for the modeling purpose. The best-fitted line parameters are derived, which represents the prevailing physical condition of the gas envelope. Our results suggest that an infalling gas could explain the observed line profiles of all the species mentioned above except SiO. An additional outflow component is required to confer the SiO line profile. Additionally, an astrochemical model is implemented to explain the observed abundancests various species in this source.

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