Behavior of morpholine and its trimethylsilyl derivative in reactions with trimethylsilyl isocyanate
Fine Chemical Technologies, 2022 Objectives. To study the patterns of behavior of morpholine and its trimethylsilyl derivative in reactions with trimethylsilyl isocyanate.Methods. The study employed infrared and nuclear magnetic resonance spectroscopy, as well as elemental analysis.Results.
L. O. Belova +4 more
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Millimeter wave spectrum and search for vinyl isocyanate toward Sgr B2(N) with ALMA [PDF]
A&A 666, A50 (2022), 2022 The interstellar detections of isocyanic acid, methyl isocyanate, and very recently also ethyl isocyanate, open the question of the possible detection of vinyl isocyanate in the interstellar medium. The aim of this study is to extend the laboratory rotational spectrum of vinyl isocyanate into the millimeter wave region and to undertake a check for its ...
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First detection of C$_2$H$_5$NCO in the ISM and search of other isocyanates towards the G+0.693-0.027 molecular cloud [PDF]
A&A 654, L1 (2021), 2021 Little is known about the chemistry of isocyanates (compounds with the functional group R-N=C=O) in the interstellar medium, as only four of them have been detected so far: isocyanate radical (NCO), isocyanic acid (HNCO), N-protonated isocyanic acid (H$_2$NCO$^+$) and methyl isocyanate (CH$_3$NCO).
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The ALMA-PILS survey: Detection of CH$_{3}$NCO toward the low-mass protostar IRAS 16293-2422 and laboratory constraints on its formation [PDF]
Mon. Not. R. Astron. Soc. 469 (2017) 2219-2229, 2017 Methyl isocyanate (CH$_{3}$NCO) belongs to a select group of interstellar molecules considered to be relevant precursors in the formation of larger organic compounds, including those with peptide bonds. The molecule has only been detected in a couple of high-mass protostars and potentially on comets.
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Isocyanic acid (HNCO) in the Hot Molecular Core G331.512-0.103: Observations and Chemical Modelling [PDF]
, 2021 Isocyanic acid (HNCO) is a simple molecule with a potential to form prebiotic and complex organic species. Using a spectral survey collected with the Atacama Pathfinder EXperiment (APEX), in this work we report the detection of 42 transitions of HNCO in the hot molecular core/outflow G331.512-0.103 (hereafter G331).
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Identification of pre-biotic molecules containing Peptide-like bond in a hot molecular core, G10.47+0.03 [PDF]
The Astrophysical Journal, 895, 2, 2020, 2020 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
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Colloidal Tin Sulfide Nanosheets: Formation Mechanism, Ligand-mediated Shape Tuning and Photo-detection [PDF]
J. Mater. Chem. C 6 (2018) 9410, 2018 Colloidal materials of tin(II) sulfide (SnS), as a layered semiconductor with a narrow band gap, are emerging as a potential alternative to the more toxic metal chalcogenides (PbS, PbSe, CdS, CdSe) for various applications such as electronic and optoelectronic devices.
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Methyl isocyanate CH3NCO: An important missing organic in current astrochemical networks [PDF]
, 2017 Methyl isocyanate (CH3NCO) is one of the important complex organic molecules detected on the comet 67P/Churyumov-Gerasimenko by Rosetta's Philae lander. It was also detected in hot cores around high-mass protostars along with a recent detection in the solar-type protostar IRAS 16293-2422.
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Instanton rate constant calculations using interpolated potential energy surfaces in non-redundant, rotationally and translationally invariant coordinates [PDF]
J. Comput. Chem. 2019, 40, 866-874, 2020 A trivial flaw in the utilization of artificial neural networks in interpolating chemical potential energy surfaces (PES) whose descriptors are Cartesian coordinates is their dependence on simple translations and rotations of the molecule under consideration.
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Synthesis of urea on the surface of interstellar water ice clusters. A quantum chemical study [PDF]
, 2023 Urea is a prebiotic molecule that has been detected in few sources of the interstellar medium (ISM) and in Murchison meteorite. Being stable against ultraviolet radiation and high-energy electron bombardment, urea is expected to be present in interstellar ices. Theoretical and experimental studies suggest that isocyanic acid (HNCO) and formamide (NH$_2$
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