scholarly journals Chemical modeling of the complex organic molecules in the extended region around Sagittarius B2

2021 ◽  
Vol 648 ◽  
pp. A72
Author(s):  
Yao Wang ◽  
Fujun Du ◽  
Dmitry Semenov ◽  
Hongchi Wang ◽  
Juan Li

Context. The chemical differentiation of seven complex organic molecules (COMs) in the extended region around Sagittarius B2 (Sgr B2) has been previously observed: CH2OHCHO, CH3OCHO, t-HCOOH, C2H5OH, and CH3NH2 were detected both in the extended region and near the hot cores Sgr B2(N) and Sgr B2(M), while CH3OCH3 and C2H5CN were only detected near the hot cores. The density and temperature in the extended region are relatively low in comparison with Sgr B2(N) and Sgr B2(M). Different desorption mechanisms, including photodesorption, reactive desorption, and shock heating, and a few other mechanisms have been proposed to explain the observed COMs in the cold regions. However, they fail to explain the deficiency of CH3OCH3 and C2H5CN in the extended region around Sgr B2. Aims. Based on known physical properties of the extended region around Sgr B2, we explored under what physical conditions the chemical simulations can fit the observations and explain the different spatial distribution of these seven species in the extended region around Sgr B2. Methods. We used the macroscopic Monte Carlo method to perform a detailed parameter space study. A static physical model and an evolving physical model including a cold phase and a warm-up phase were used, respectively. The fiducial models adopt the observed physical parameters except for the local cosmic ray ionization rate ζCR. In addition to photodesorption that is included in all models, we investigated how chain reaction mechanism, shocks, an X-ray burst, enhanced reactive desorption and low diffusion barriers could affect the results of chemical modeling. Results. All gas-grain chemical models based on static physics cannot fit the observations, except for the high abundances of CH3NH2 and C2H5CN in some cases. The simulations based on evolving physical conditions can fit six COMs when T ~ 30−60 K in the warm-up phase, but the best-fit temperature is still higher than the observed dust temperature of 20 K. The best agreement between the simulations and all seven observed COMs at a lower temperature T ~ 27 K is achieved by considering a short-duration ≈102 yr X-ray burst with ζCR = 1.3 × 10−13 s−1 at the early stage of the warm-up phase when it still has a temperature of 20 K. The reactive desorption is the key mechanism for producing these COMs and inducing the low abundances of CH3OCH3 and C2H5CN. Conclusions. We conclude that the evolution of the extended region around Sgr B2 may have begun with a cold, T ≤ 10 K phase followed by a warm-up phase. When its temperature reached about T ~ 20 K, an X-ray flare from the Galactic black hole Sgr A* with a short duration of no more than 100 yr was acquired, affecting strongly the Sgr B2 chemistry. The observed COMs in Sgr B2 are able to retain their observed abundances only several hundred years after such a flare, which could imply that such short-term X-rays flares occur relatively often, likely associated with the accretion activity of the Sgr A* source.

2021 ◽  
Author(s):  
Héctor Carrascosa ◽  
Cristóbal González Díaz ◽  
Guillermo M. Muñoz Caro ◽  
Pedro C. Gómez ◽  
María Luz Sanz

<p>Hexamethylentetramine has drawn a lot of attention due to its potential to produce prebiotic species. This work aims to gain a better understanding in the chemical processes concerning methylamine under astrophysically relevant conditions. In particular, this work deeps into the formation of N-heterocycles in interstellar ice analogs exposed to UV radiation, which may lead to the formation of prebiotic species.</p> <p>Experimental simulations of interstellar ice analogs were carried out in ISAC. ISAC is an ultra-high vacuum chamber equipped with a cryostat, where gas and vapour species are frozen forming ice samples. Infrared and ultraviolet spectroscopy were used to monitor the solid phase, and quadrupole mass spectrometry served to measure the composition of the gas phase. The variety of species detected after UV irradiation of ices containing  methylamine revealed the presence of 12 species which have been already detected in the ISM, being 4 of them typically classified as complex organic molecules: formamide (HCONH<sub>2</sub>), methyl cyanide (CH<sub>3</sub>CN), CH<sub>3</sub>NH and CH<sub>3</sub>CHNH. Warming up of the irradiated CH<sub>3</sub>NH<sub>2</sub>-bearing ice samples lead to the formation of trimethylentriamine (TMT), a N-heterocycle precursor of HMT, and the subsequent synthesis of HMT at temperatures above 230 K.</p>


2019 ◽  
Vol 3 (10) ◽  
pp. 2138-2157 ◽  
Author(s):  
Guillermo M. Muñoz Caro ◽  
Angela Ciaravella ◽  
Antonio Jiménez-Escobar ◽  
Cesare Cecchi-Pestellini ◽  
Cristóbal González-Díaz ◽  
...  

2019 ◽  
Vol 623 ◽  
pp. A69 ◽  
Author(s):  
S. Manigand ◽  
H. Calcutt ◽  
J. K. Jørgensen ◽  
V. Taquet ◽  
H. S. P. Müller ◽  
...  

Studies of deuterated isotopologues of complex organic molecules can provide important constraints on their origin in star formation regions. In particular, the abundances of deuterated species are very sensitive to the physical conditions in the environment where they form. Because the temperatures in star formation regions are low, these isotopologues are enhanced to significant levels, which enables the detection of multiply deuterated species. However, for complex organic species, so far only the multiply deuterated variants of methanol and methyl cyanide have been reported. The aim of this paper is to initiate the characterisation of multiply deuterated variants of complex organic species with the first detection of doubly deuterated methyl formate, CHD2OCHO. We use ALMA observations from the Protostellar Interferometric Line Survey (PILS) of the protostellar binary IRAS 16293–2422 in the spectral range of 329.1 GHz to 362.9 GHz. Spectra towards each of the two protostars are extracted and analysed using a local thermal equilibrium model in order to derive the abundances of methyl formate and its deuterated variants. We report the first detection of doubly deuterated methyl formate CHD2OCHO in the ISM. The D-to-H ratio (D/H ratio) of CHD2OCHO is found to be 2–3 times higher than the D/H ratio of CH2DOCHO for both sources, similar to the results for formaldehyde from the same dataset. The observations are compared to a gas-grain chemical network coupled to a dynamical physical model, tracing the evolution of a molecular cloud until the end of the Class 0 protostellar stage. The overall D/H ratio enhancements found in the observations are of about the same magnitude as the predictions from the model for the early stages of Class 0 protostars. However, that the D/H ratio of CHD2OCHO is higher than that of CH2DOCHO is still not predicted by the model. This suggests that a mechanism enhances the D/H ratio of singly and doubly deuterated methyl formate that is not in the model, for instance, mechanisms for H–D substitutions. This new detection provides an important constraint on the formation routes of methyl formate and outlines a path forward in terms of using these ratios to determine the formation of organic molecules through observations of differently deuterated isotopologues towards embedded protostars.


2019 ◽  
Vol 879 (1) ◽  
pp. 21 ◽  
Author(s):  
A. Ciaravella ◽  
A. Jiménez-Escobar ◽  
C. Cecchi-Pestellini ◽  
C. H. Huang ◽  
N. E. Sie ◽  
...  

2018 ◽  
Vol 616 ◽  
pp. A90 ◽  
Author(s):  
H. Calcutt ◽  
J. K. Jørgensen ◽  
H. S. P. Müller ◽  
L. E. Kristensen ◽  
A. Coutens ◽  
...  

Context. Complex organic molecules are readily detected in the inner regions of the gaseous envelopes of forming protostars. Their detection is crucial to understanding the chemical evolution of the Universe and exploring the link between the early stages of star formation and the formation of solar system bodies, where complex organic molecules have been found in abundance. In particular, molecules that contain nitrogen are interesting due to the role nitrogen plays in the development of life and the compact scales such molecules have been found to trace around forming protostars. Aims. The goal of this work is to determine the inventory of one family of nitrogen-bearing organic molecules, complex nitriles (molecules with a –C≡N functional group) towards two hot corino sources in the low-mass protostellar binary IRAS 16293–2422. This work explores the abundance differences between the two sources, the isotopic ratios, and the spatial extent derived from molecules containing the nitrile functional group. Methods. Using data from the Protostellar Interferometric Line Survey (PILS) obtained with ALMA, we determine abundances and excitation temperatures for the detected nitriles. We also present a new method for determining the spatial structure of sources with high line density and large velocity gradients – Velocity-corrected INtegrated emission (VINE) maps. Results. We detect methyl cyanide (CH3CN) as well as five of its isotopologues, including CHD2CN, which is the first detection in the interstellar medium (ISM). We also detect ethyl cyanide (C2H5CN), vinyl cyanide (C2H3CN), and cyanoacetylene (HC3N). We find that abundances are similar between IRAS 16293A and IRAS 16293B on small scales except for vinyl cyanide which is only detected towards the latter source. This suggests an important difference between the sources either in their evolutionary stage or warm-up timescales. We also detect a spatially double-peaked emission for the first time in molecular emission in the A source, suggesting that this source is showing structure related to a rotating toroid of material. Conclusions. With high-resolution observations, we have been able to show for the first time a number of important similarities and differences in the nitrile chemistry in these objects. These illustrate the utility of nitriles as potential tracers of the physical conditions in star-forming regions.


2020 ◽  
Vol 117 (28) ◽  
pp. 16149-16153
Author(s):  
Angela Ciaravella ◽  
Guillermo M. Muñoz Caro ◽  
Antonio Jiménez-Escobar ◽  
Cesare Cecchi-Pestellini ◽  
Li-Chieh Hsiao ◽  
...  

The Atacama Large Millimeter Array has allowed a detailed observation of molecules in protoplanetary disks, which can evolve toward solar systems like our own. While CO,CO2, HCO, andH2COare often abundant species in the cold zones of the disk,CH3OHorCH3CNare only found in a few regions, and more-complex organic molecules are not observed. We simulate, experimentally, ice processing in disks under realistic conditions, that is, layered ices irradiated by soft X-rays. X-ray emission from young solar-type stars is thousands of times brighter than that of today’s sun. The ice mantle is composed of aH2O:CH4:NH3mixture, covered by a layer made ofCH3OHand CO. The photoproducts found desorbing from both ice layers to the gas phase during the irradiation converge with those detected in higher abundances in the gas phase of protoplanetary disks, providing important insights on the nonthermal processes that drive the chemistry in these objects.


Author(s):  
W. W. Barker ◽  
W. E. Rigsby ◽  
V. J. Hurst ◽  
W. J. Humphreys

Experimental clay mineral-organic molecule complexes long have been known and some of them have been extensively studied by X-ray diffraction methods. The organic molecules are adsorbed onto the surfaces of the clay minerals, or intercalated between the silicate layers. Natural organo-clays also are widely recognized but generally have not been well characterized. Widely used techniques for clay mineral identification involve treatment of the sample with H2 O2 or other oxidant to destroy any associated organics. This generally simplifies and intensifies the XRD pattern of the clay residue, but helps little with the characterization of the original organoclay. Adequate techniques for the direct observation of synthetic and naturally occurring organoclays are yet to be developed.


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