Denis Sh. Sabirov , Ralia R. Garipova , Franco Cataldo
{"title":"同分异构体及相关星际化合物在丰度方面的极化性","authors":"Denis Sh. Sabirov , Ralia R. Garipova , Franco Cataldo","doi":"10.1016/j.molap.2018.05.001","DOIUrl":null,"url":null,"abstract":"<div><p><span>Currently, about 100 carbon-containing molecules have been detected in interstellar and circumstellar environments, and this list includes isomeric substances. In most cases, the minimum energy principle is able to explain the ratio of abundances of the isomeric compounds but in some cases is not. Trying to rationalize the questions unsolved within the energetic<span> approach, we have theoretically studied the polarizability of isomeric and related compounds detected or proposed in interstellar conditions. As we found, in general both energy and polarizability provide the consistent estimates for the ratio of the isomers (</span></span><em>e.g.</em>, for the isomers having generic formulae CHO, CHN, C<sub>3</sub>H, C<sub>3</sub>H<sub>2</sub>, CHNO, C<sub>2</sub>H<sub>3</sub>N, C<sub>2</sub>H<sub>6</sub>O, <em>etc</em>.). In the case of the C<sub>4</sub>H<sub>3</sub>N isomers, the most abundant isomer (cyanoallene) is not the most stable but the least polarizable that is in a good agreement with relevant experimental study. We assume that the efficiency of the use of polarizability is due to its relevance to the molecules’ response to the external electric fields, <em>i.e.</em><span><span>, more polarizable molecules are more responsive, more reactive, and, hence, less abundant. Further, we have analyzed the polarizabilities of polycyclic aromatic hydrocarbons, </span>fullerene hydrides (fulleranes), polyynes, and their derivatives with respect to their possible detection under interstellar conditions.</span></p></div>","PeriodicalId":44164,"journal":{"name":"Molecular Astrophysics","volume":"12 ","pages":"Pages 10-19"},"PeriodicalIF":0.0000,"publicationDate":"2018-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/j.molap.2018.05.001","citationCount":"18","resultStr":"{\"title\":\"Polarizability of isomeric and related interstellar compounds in the aspect of their abundance\",\"authors\":\"Denis Sh. Sabirov , Ralia R. Garipova , Franco Cataldo\",\"doi\":\"10.1016/j.molap.2018.05.001\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p><span>Currently, about 100 carbon-containing molecules have been detected in interstellar and circumstellar environments, and this list includes isomeric substances. In most cases, the minimum energy principle is able to explain the ratio of abundances of the isomeric compounds but in some cases is not. Trying to rationalize the questions unsolved within the energetic<span> approach, we have theoretically studied the polarizability of isomeric and related compounds detected or proposed in interstellar conditions. As we found, in general both energy and polarizability provide the consistent estimates for the ratio of the isomers (</span></span><em>e.g.</em>, for the isomers having generic formulae CHO, CHN, C<sub>3</sub>H, C<sub>3</sub>H<sub>2</sub>, CHNO, C<sub>2</sub>H<sub>3</sub>N, C<sub>2</sub>H<sub>6</sub>O, <em>etc</em>.). In the case of the C<sub>4</sub>H<sub>3</sub>N isomers, the most abundant isomer (cyanoallene) is not the most stable but the least polarizable that is in a good agreement with relevant experimental study. We assume that the efficiency of the use of polarizability is due to its relevance to the molecules’ response to the external electric fields, <em>i.e.</em><span><span>, more polarizable molecules are more responsive, more reactive, and, hence, less abundant. Further, we have analyzed the polarizabilities of polycyclic aromatic hydrocarbons, </span>fullerene hydrides (fulleranes), polyynes, and their derivatives with respect to their possible detection under interstellar conditions.</span></p></div>\",\"PeriodicalId\":44164,\"journal\":{\"name\":\"Molecular Astrophysics\",\"volume\":\"12 \",\"pages\":\"Pages 10-19\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2018-09-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://sci-hub-pdf.com/10.1016/j.molap.2018.05.001\",\"citationCount\":\"18\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Molecular Astrophysics\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S2405675818300113\",\"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/S2405675818300113","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"Physics and Astronomy","Score":null,"Total":0}
Polarizability of isomeric and related interstellar compounds in the aspect of their abundance
Currently, about 100 carbon-containing molecules have been detected in interstellar and circumstellar environments, and this list includes isomeric substances. In most cases, the minimum energy principle is able to explain the ratio of abundances of the isomeric compounds but in some cases is not. Trying to rationalize the questions unsolved within the energetic approach, we have theoretically studied the polarizability of isomeric and related compounds detected or proposed in interstellar conditions. As we found, in general both energy and polarizability provide the consistent estimates for the ratio of the isomers (e.g., for the isomers having generic formulae CHO, CHN, C3H, C3H2, CHNO, C2H3N, C2H6O, etc.). In the case of the C4H3N isomers, the most abundant isomer (cyanoallene) is not the most stable but the least polarizable that is in a good agreement with relevant experimental study. We assume that the efficiency of the use of polarizability is due to its relevance to the molecules’ response to the external electric fields, i.e., more polarizable molecules are more responsive, more reactive, and, hence, less abundant. Further, we have analyzed the polarizabilities of polycyclic aromatic hydrocarbons, fullerene hydrides (fulleranes), polyynes, and their derivatives with respect to their possible detection under interstellar conditions.
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.