Prasanta Gorai , Ankan Das , Liton Majumdar , Sandip Kumar Chakrabarti , Bhalamurugan Sivaraman , Eric Herbst
{"title":"在星际介质中形成丙炔醇的可能性","authors":"Prasanta Gorai , Ankan Das , Liton Majumdar , Sandip Kumar Chakrabarti , Bhalamurugan Sivaraman , Eric Herbst","doi":"10.1016/j.molap.2017.01.004","DOIUrl":null,"url":null,"abstract":"<div><p>Propargyl alcohol (HC<sub>2</sub>CH<sub>2</sub><span>OH, PA) has yet to be observed in the interstellar medium (ISM) although one of its stable isomers, propenal (CH</span><sub>2</sub>CHCHO), has already been detected in Sagittarius B2(N) with the 100-meter Green Bank Telescope in the frequency range <span><math><mrow><mn>18</mn><mo>−</mo><mn>26</mn></mrow></math></span> GHz. In this paper, we investigate the formation of propargyl alcohol along with one of its deuterated isotopomers, HC<sub>2</sub>CH<sub>2</sub><span><span>OD (OD-PA), in a dense molecular cloud. Various pathways for the formation of PA in the </span>gas and on ice mantles surrounding dust particles are discussed. We use a large gas-grain chemical network to study the chemical evolution of PA and its deuterated isotopomer. Our results suggest that gaseous HC</span><sub>2</sub>CH<sub>2</sub><span><span><span>OH can most likely be detected in hot cores or in collections of hot cores such as the star-forming region Sgr B2(N). A simple LTE (Local thermodynamic equilibrium) radiative transfer model is employed to check the possibility of detecting PA and OD-PA in the millimeter-wave regime. In addition, we have carried out </span>quantum chemical calculations to compute the </span>vibrational transition<span> frequencies and intensities of these species in the infrared for perhaps future use in studies with the James Webb Space Telescope (JWST).</span></span></p></div>","PeriodicalId":44164,"journal":{"name":"Molecular Astrophysics","volume":"6 ","pages":"Pages 36-46"},"PeriodicalIF":0.0000,"publicationDate":"2017-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/j.molap.2017.01.004","citationCount":"15","resultStr":"{\"title\":\"The Possibility of Forming Propargyl Alcohol in the Interstellar Medium\",\"authors\":\"Prasanta Gorai , Ankan Das , Liton Majumdar , Sandip Kumar Chakrabarti , Bhalamurugan Sivaraman , Eric Herbst\",\"doi\":\"10.1016/j.molap.2017.01.004\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>Propargyl alcohol (HC<sub>2</sub>CH<sub>2</sub><span>OH, PA) has yet to be observed in the interstellar medium (ISM) although one of its stable isomers, propenal (CH</span><sub>2</sub>CHCHO), has already been detected in Sagittarius B2(N) with the 100-meter Green Bank Telescope in the frequency range <span><math><mrow><mn>18</mn><mo>−</mo><mn>26</mn></mrow></math></span> GHz. In this paper, we investigate the formation of propargyl alcohol along with one of its deuterated isotopomers, HC<sub>2</sub>CH<sub>2</sub><span><span>OD (OD-PA), in a dense molecular cloud. Various pathways for the formation of PA in the </span>gas and on ice mantles surrounding dust particles are discussed. We use a large gas-grain chemical network to study the chemical evolution of PA and its deuterated isotopomer. Our results suggest that gaseous HC</span><sub>2</sub>CH<sub>2</sub><span><span><span>OH can most likely be detected in hot cores or in collections of hot cores such as the star-forming region Sgr B2(N). A simple LTE (Local thermodynamic equilibrium) radiative transfer model is employed to check the possibility of detecting PA and OD-PA in the millimeter-wave regime. In addition, we have carried out </span>quantum chemical calculations to compute the </span>vibrational transition<span> frequencies and intensities of these species in the infrared for perhaps future use in studies with the James Webb Space Telescope (JWST).</span></span></p></div>\",\"PeriodicalId\":44164,\"journal\":{\"name\":\"Molecular Astrophysics\",\"volume\":\"6 \",\"pages\":\"Pages 36-46\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2017-03-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://sci-hub-pdf.com/10.1016/j.molap.2017.01.004\",\"citationCount\":\"15\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Molecular Astrophysics\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S2405675816300264\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"Physics and Astronomy\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Molecular Astrophysics","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S2405675816300264","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"Physics and Astronomy","Score":null,"Total":0}
The Possibility of Forming Propargyl Alcohol in the Interstellar Medium
Propargyl alcohol (HC2CH2OH, PA) has yet to be observed in the interstellar medium (ISM) although one of its stable isomers, propenal (CH2CHCHO), has already been detected in Sagittarius B2(N) with the 100-meter Green Bank Telescope in the frequency range GHz. In this paper, we investigate the formation of propargyl alcohol along with one of its deuterated isotopomers, HC2CH2OD (OD-PA), in a dense molecular cloud. Various pathways for the formation of PA in the gas and on ice mantles surrounding dust particles are discussed. We use a large gas-grain chemical network to study the chemical evolution of PA and its deuterated isotopomer. Our results suggest that gaseous HC2CH2OH can most likely be detected in hot cores or in collections of hot cores such as the star-forming region Sgr B2(N). A simple LTE (Local thermodynamic equilibrium) radiative transfer model is employed to check the possibility of detecting PA and OD-PA in the millimeter-wave regime. In addition, we have carried out quantum chemical calculations to compute the vibrational transition frequencies and intensities of these species in the infrared for perhaps future use in studies with the James Webb Space Telescope (JWST).
期刊介绍：
Molecular Astrophysics is a peer-reviewed journal containing full research articles, selected review articles, and thematic issues. Molecular Astrophysics is a new journal where researchers working in planetary and exoplanetary science, astrochemistry, astrobiology, spectroscopy, physical chemistry and chemical physics can meet and exchange their ideas. Understanding the origin and evolution of interstellar and circumstellar molecules is key to understanding the Universe around us and our place in it and has become a fundamental goal of modern astrophysics. Molecular Astrophysics aims to provide a platform for scientists studying the chemical processes that form and dissociate molecules, and control chemical abundances in the universe, particularly in Solar System objects including planets, moons, and comets, in the atmospheres of exoplanets, as well as in regions of star and planet formation in the interstellar medium of galaxies. Observational studies of the molecular universe are driven by a range of new space missions and large-scale scale observatories opening up. With the Spitzer Space Telescope, the Herschel Space Observatory, the Atacama Large Millimeter/submillimeter Array (ALMA), NASA''s Kepler mission, the Rosetta mission, and more major future facilities such as NASA''s James Webb Space Telescope and various missions to Mars, the journal taps into the expected new insights and the need to bring the various communities together on one platform. The journal aims to cover observational, laboratory as well as computational results in the galactic, extragalactic and intergalactic areas of our universe.
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