Chemical modeling for predicting the abundances of certain aldimines and amines in hot cores

We consider six isomeric groups (CH3N, CH5N, C2H5N, C2H7N, C3H7N and C3H9N) to review the presence of amines and aldimines within the interstellar medium (ISM). Each of these groups contains at least one aldimine or amine. Methanimine (CH2NH) from CH3N and methylamine (CH3NH2) from CH5N isomeric group were detected a few decades ago. Recently, the presence of ethanimine (CH3CHNH) from C2H5N isomeric group has been discovered in the ISM. This prompted us to investigate the possibility of detecting any aldimine or amine from the very next three isomeric groups in this sequence: C2H7N, C3H7N and C3H9N. We employ high-level quantum chemical calculations to estimate accurate energies of all the species. According to enthalpies of formation, optimized energies, and expected intensity ratio, we found that ethylamine (precursor of glycine) from C2H7N isomeric group, (1Z)-1-propanimine from C3H7N isomeric group, and trimethylamine from C3H9N isomeric group are the most viable candidates for the future astronomical detection. Based on our quantum chemical calculations and from other approximations (from prevailing similar types of reactions), a complete set of reaction pathways to the synthesis of ethylamine and (1Z)-1-propanimine is prepared. Moreover, a large gas-grain chemical model is employed to study the presence of these species in the ISM. Our modeling results suggest that ethylamine and (1Z)-1-propanimine could efficiently be formed in hot-core regions and could be observed with present astronomical facilities. Radiative transfer modeling is also implemented to additionally aid their discovery in interstellar space.Comment: 32 pages, 18 Figures, Accepted for publication in the Astrophysical Journa

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.Comment: 40 pages, 30 figure

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.Comment: 44 pages, 25 figures, and 12 tables. Accepted for the publication in the Astrophysical Journa

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 (H13CO+, HCN, SiO, NH3, CH3CN, 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 abundances of various species in this source

Dilemas dos sistemas híbridos de comunicação institucional: análise das tensões e dos conflitos no projeto da Câmara dos Deputados

The first identification of the argonium ion (ArH+) toward the Crab Nebula supernova remnant was proclaimed by Herschel in the submillimeter and far-infrared domains. Very recently, the discovery of the hydro-helium cation (HeH+) in the planetary nebula (NGC 7027) by SOFIA has been reported. The elemental abundance of neon is much higher than that of argon. However, the presence of neonium ions (NeH+) is yet to be confirmed in space. Though the hydroxyl radicals (-OH) are very abundant in both neutral and cationic forms, hydroxyl cations of such noble gases (i.e., ArOH+, NeOH+, and HeOH+) are yet to be identified in space. Here, we employ a spectral synthesis code to examine the chemical evolution of the hydride and hydroxyl cations of the various isotopes of Ar, Ne, and He in the Crab Nebula filament and calculate their line emissivity and intrinsic line surface brightness. We successfully explain the observed surface brightness of two transitions of ArH+ (617 and 1234 GHz), one transition of OH+ (971 GHz), and one transition of H2 (2.12 μm). We also explain the observed surface brightness ratios between various molecular and atomic transitions. We find that our model reproduces the overall observed features when a hydrogen number density of ∼(104-106) cm-3 and a cosmic-ray ionization rate per H2 of ∼(10-11-10-10) s-1 are chosen. We discuss the possibility of detecting some hydride and hydroxyl cations in the Crab and diffuse cloud environment. Some transitions of these molecules are highlighted for future astronomical detection

Identification of Methyl Isocyanate and Other Complex Organic Molecules in a Hot Molecular Core, G31.41+0.31

G31.41+0.31 is a well known chemically rich hot molecular core (HMC). Using Band 3 observations from the Atacama Large Millimeter Array (ALMA), we have analyzed the chemical and physical properties of the source. We have identified methyl isocyanate (CH3NCO), a precursor of prebiotic molecules, toward the source. In addition to this, we have reported the presence of complex organic molecules (COMs) like methanol (CH3OH), methanethiol (CH3SH), and methyl formate (CH3OCHO). Additionally, we have used transitions from molecules like HCN, (HCO+)-C-13, and SiO to trace the presence of infall and outflow signatures around the star-forming region. For the COMs, we have estimated the column densities and kinetic temperatures, assuming molecular excitation under local thermodynamic equilibrium (LTE) conditions. From the estimated kinetic temperatures of certain COMs, we found that multiple temperature components may be present in the HMC environment. Comparing the obtained molecular column densities between the existing observational results around other HMCs, it seems that the COMs are favorably produced in the hot core environment (similar to 100 K or higher). Though the spectral emissions toward G31.41+0.31 are not fully resolved, we find that CH3NCO and other COMs are possibly formed on grain/ice phase and populate the gas environment similar to other hot cores like Sgr B2, Orion KL, and G10.47+0.03

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 understand their physical and chemical heritage. We identified multiple COMs utilizing the Large Program Astrochemical Surveys At Institut de Radio Astronomie Millimétrique (IRAM) data, dedicated to chemical surveys in Sun-like star-forming regions with the IRAM 30 m telescope. It was an unbiased survey in the millimeter regime, covering the prestellar core, protostar, outflow region, and protoplanetary disk phase. Here, we report the transitions of seven COMs, namely, methanol (CH _3 OH), acetaldehyde (CH _3 CHO), methyl formate (CH _3 OCHO), ethanol (C _2 H _5 OH), propynal (HCCCHO), dimethyl ether (CH _3 OCH _3 ), and methyl cyanide (CH _3 CN) in sources L1544, B1-b, IRAS4A, and SVS13A. We found a trend among these species from the derived abundances using the rotational diagram method and Monte Carlo Markov chain fitting. 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 correlates with the luminosity of the sources. The obtained trend is also visible from the previous interferometric observations and considering the beam dilution effect

Chemical Complexity of Phosphorous-bearing Species in Various Regions of the Interstellar Medium

Phosphorus-related species are not known to be as omnipresent in space as hydrogen, carbon, nitrogen, oxygen, and sulfur-bearing species. Astronomers spotted very few P-bearing molecules in the interstellar medium and circumstellar envelopes. Limited discovery of the P-bearing species imposes severe constraints in modeling the P-chemistry. In this paper, we carry out extensive chemical models to follow the fate of P-bearing species in diffuse clouds, photon-dominated or photodissociation regions (PDRs), and hot cores/corinos. We notice a curious correlation between the abundances of PO and PN and atomic nitrogen. Since N atoms are more abundant in diffuse clouds and PDRs than in the hot core/corino region, PO/PN reflects <1 in diffuse clouds, MUCH LESS-THAN1 in PDRs, and >1 in the late warm-up evolutionary stage of the hot core/corino regions. During the end of the post-warm-up stage, we obtain PO/PN > 1 for hot core and <1 for its low-mass analog. We employ a radiative transfer model to investigate the transitions of some of the P-bearing species in diffuse cloud and hot core regions and estimate the line profiles. Our study estimates the required integration time to observe these transitions with ground-based and space-based telescopes. We also carry out quantum chemical computation of the infrared features of PH3, along with various impurities. We notice that SO2 overlaps with the PH3 bending-scissoring modes around similar to 1000-1100 cm(-1). We also find that the presence of CO2 can strongly influence the intensity of the stretching modes around similar to 2400 cm(-1) of PH3