Collisional Excitation and Non-LTE Modeling of Interstellar Chiral Propylene Oxide
The first set of theoretical rotational cross sections for propylene oxide (CH3CHCH2O) colliding with cold He atoms has been obtained at the full quantum level using a high-accuracy potential energy surface. By scaling the collision reduced mass, rotational rate coefficients for collisions with para...
| Main Authors: | , , , , , , , , , |
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| Format: | Article |
| Language: | English |
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American Astronomical Society
2022
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| Online Access: | https://hdl.handle.net/1721.1/141115 |
| _version_ | 1826191425133346816 |
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| author | Dzenis, Karlis Faure, Alexandre McGuire, BA Remijan, AJ Dagdigian, PJ Rist, C Dawes, R Quintas-Sánchez, E Lique, F Hochlaf, M |
| author2 | Massachusetts Institute of Technology. Department of Chemistry |
| author_facet | Massachusetts Institute of Technology. Department of Chemistry Dzenis, Karlis Faure, Alexandre McGuire, BA Remijan, AJ Dagdigian, PJ Rist, C Dawes, R Quintas-Sánchez, E Lique, F Hochlaf, M |
| author_sort | Dzenis, Karlis |
| collection | MIT |
| description | The first set of theoretical rotational cross sections for propylene oxide (CH3CHCH2O) colliding with cold He atoms has been obtained at the full quantum level using a high-accuracy potential energy surface. By scaling the collision reduced mass, rotational rate coefficients for collisions with para-H2 are deduced in the temperature range 5–30 K. These collisional coefficients are combined with radiative data in a non-LTE radiative transfer model in order to reproduce observations of propylene oxide made toward the Sagittarius B2(N) molecular cloud with the Green Bank and Parkes radio telescopes. The three detected absorption lines are found to probe the cold (∼10 K) and translucent (nH ∼ 2000 cm−3) gas in the outer edges of the extended Sgr B2(N) envelope. The derived column density for propylene oxide is Ntot ∼ 3 × 1012 cm−2, corresponding to a fractional abundance relative to total hydrogen of ∼2.5 × 10−11. The present results are expected to help our understanding of the chemistry of propylene oxide, including a potential enantiomeric excess, in the cold interstellar medium. |
| first_indexed | 2024-09-23T08:55:39Z |
| format | Article |
| id | mit-1721.1/141115 |
| institution | Massachusetts Institute of Technology |
| language | English |
| last_indexed | 2024-09-23T08:55:39Z |
| publishDate | 2022 |
| publisher | American Astronomical Society |
| record_format | dspace |
| spelling | mit-1721.1/1411152023-02-08T20:51:37Z Collisional Excitation and Non-LTE Modeling of Interstellar Chiral Propylene Oxide Dzenis, Karlis Faure, Alexandre McGuire, BA Remijan, AJ Dagdigian, PJ Rist, C Dawes, R Quintas-Sánchez, E Lique, F Hochlaf, M Massachusetts Institute of Technology. Department of Chemistry The first set of theoretical rotational cross sections for propylene oxide (CH3CHCH2O) colliding with cold He atoms has been obtained at the full quantum level using a high-accuracy potential energy surface. By scaling the collision reduced mass, rotational rate coefficients for collisions with para-H2 are deduced in the temperature range 5–30 K. These collisional coefficients are combined with radiative data in a non-LTE radiative transfer model in order to reproduce observations of propylene oxide made toward the Sagittarius B2(N) molecular cloud with the Green Bank and Parkes radio telescopes. The three detected absorption lines are found to probe the cold (∼10 K) and translucent (nH ∼ 2000 cm−3) gas in the outer edges of the extended Sgr B2(N) envelope. The derived column density for propylene oxide is Ntot ∼ 3 × 1012 cm−2, corresponding to a fractional abundance relative to total hydrogen of ∼2.5 × 10−11. The present results are expected to help our understanding of the chemistry of propylene oxide, including a potential enantiomeric excess, in the cold interstellar medium. 2022-03-10T15:57:07Z 2022-03-10T15:57:07Z 2022-02-01 2022-03-10T15:54:05Z Article http://purl.org/eprint/type/JournalArticle https://hdl.handle.net/1721.1/141115 Dzenis, Karlis, Faure, Alexandre, McGuire, BA, Remijan, AJ, Dagdigian, PJ et al. 2022. "Collisional Excitation and Non-LTE Modeling of Interstellar Chiral Propylene Oxide." The Astrophysical Journal, 926 (1). en 10.3847/1538-4357/ac43b5 The Astrophysical Journal Creative Commons Attribution 4.0 International license https://creativecommons.org/licenses/by/4.0/ application/pdf American Astronomical Society The American Astronomical Society |
| spellingShingle | Dzenis, Karlis Faure, Alexandre McGuire, BA Remijan, AJ Dagdigian, PJ Rist, C Dawes, R Quintas-Sánchez, E Lique, F Hochlaf, M Collisional Excitation and Non-LTE Modeling of Interstellar Chiral Propylene Oxide |
| title | Collisional Excitation and Non-LTE Modeling of Interstellar Chiral Propylene Oxide |
| title_full | Collisional Excitation and Non-LTE Modeling of Interstellar Chiral Propylene Oxide |
| title_fullStr | Collisional Excitation and Non-LTE Modeling of Interstellar Chiral Propylene Oxide |
| title_full_unstemmed | Collisional Excitation and Non-LTE Modeling of Interstellar Chiral Propylene Oxide |
| title_short | Collisional Excitation and Non-LTE Modeling of Interstellar Chiral Propylene Oxide |
| title_sort | collisional excitation and non lte modeling of interstellar chiral propylene oxide |
| url | https://hdl.handle.net/1721.1/141115 |
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