Holger S.P. Müller , Jes K. Jørgensen , Jean-Claude Guillemin , Frank Lewen , Stephan Schlemmer
{"title":"环氧乙烷-2,2-d2,c-CD2CH2O的旋转光谱及其对IRAS 16293-2422B的初步检测","authors":"Holger S.P. Müller , Jes K. Jørgensen , Jean-Claude Guillemin , Frank Lewen , Stephan Schlemmer","doi":"10.1016/j.jms.2023.111777","DOIUrl":null,"url":null,"abstract":"<div><p><span>We prepared a sample of oxirane<span> doubly deuterated at one C atom and studied its rotational spectrum in the laboratory for the first time between 120 GHz and 1094 GHz. Accurate spectroscopic parameters up to eighth order were determined, and the calculated rest frequencies were used to identify </span></span><span><math><mi>c</mi></math></span>-CD<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>CH<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span><span>O tentatively in the interstellar medium in the Atacama Large Millimeter/submillimeter Array Protostellar Interferometric Line Survey (PILS) of the Class 0 protostellar system IRAS 16293-2422. The </span><span><math><mi>c</mi></math></span>-CD<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>CH<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>O to <span><math><mi>c</mi></math></span>-C<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>H<span><math><msub><mrow></mrow><mrow><mn>4</mn></mrow></msub></math></span>O ratio was estimated to be <span><math><mo>∼</mo></math></span>0.054 with <span><math><mrow><msub><mrow><mi>T</mi></mrow><mrow><mi>rot</mi></mrow></msub><mo>=</mo><mn>125</mn></mrow></math></span> K. This value translates to a D-to-H ratio of <span><math><mo>∼</mo></math></span>0.16 per H atom which is higher by a factor of 4.5 than the <span><math><mo>∼</mo></math></span>0.036 per H atom obtained for <span><math><mi>c</mi></math></span>-C<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>H<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span>DO. Such increase in the degree of deuteration referenced to one H atom in multiply deuterated isotopologs compared to their singly deuterated variants have been observed commonly in recent years.</p></div>","PeriodicalId":16367,"journal":{"name":"Journal of Molecular Spectroscopy","volume":"394 ","pages":"Article 111777"},"PeriodicalIF":1.4000,"publicationDate":"2023-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"1","resultStr":"{\"title\":\"Rotational spectroscopy of oxirane-2,2-d2, c-CD2CH2O, and its tentative detection toward IRAS 16293-2422 B\",\"authors\":\"Holger S.P. Müller , Jes K. Jørgensen , Jean-Claude Guillemin , Frank Lewen , Stephan Schlemmer\",\"doi\":\"10.1016/j.jms.2023.111777\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p><span>We prepared a sample of oxirane<span> doubly deuterated at one C atom and studied its rotational spectrum in the laboratory for the first time between 120 GHz and 1094 GHz. Accurate spectroscopic parameters up to eighth order were determined, and the calculated rest frequencies were used to identify </span></span><span><math><mi>c</mi></math></span>-CD<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>CH<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span><span>O tentatively in the interstellar medium in the Atacama Large Millimeter/submillimeter Array Protostellar Interferometric Line Survey (PILS) of the Class 0 protostellar system IRAS 16293-2422. The </span><span><math><mi>c</mi></math></span>-CD<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>CH<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>O to <span><math><mi>c</mi></math></span>-C<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>H<span><math><msub><mrow></mrow><mrow><mn>4</mn></mrow></msub></math></span>O ratio was estimated to be <span><math><mo>∼</mo></math></span>0.054 with <span><math><mrow><msub><mrow><mi>T</mi></mrow><mrow><mi>rot</mi></mrow></msub><mo>=</mo><mn>125</mn></mrow></math></span> K. This value translates to a D-to-H ratio of <span><math><mo>∼</mo></math></span>0.16 per H atom which is higher by a factor of 4.5 than the <span><math><mo>∼</mo></math></span>0.036 per H atom obtained for <span><math><mi>c</mi></math></span>-C<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>H<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span>DO. Such increase in the degree of deuteration referenced to one H atom in multiply deuterated isotopologs compared to their singly deuterated variants have been observed commonly in recent years.</p></div>\",\"PeriodicalId\":16367,\"journal\":{\"name\":\"Journal of Molecular Spectroscopy\",\"volume\":\"394 \",\"pages\":\"Article 111777\"},\"PeriodicalIF\":1.4000,\"publicationDate\":\"2023-04-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"1\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Molecular Spectroscopy\",\"FirstCategoryId\":\"101\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0022285223000425\",\"RegionNum\":4,\"RegionCategory\":\"物理与天体物理\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"PHYSICS, ATOMIC, MOLECULAR & CHEMICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Molecular Spectroscopy","FirstCategoryId":"101","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0022285223000425","RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"PHYSICS, ATOMIC, MOLECULAR & CHEMICAL","Score":null,"Total":0}
Rotational spectroscopy of oxirane-2,2-d2, c-CD2CH2O, and its tentative detection toward IRAS 16293-2422 B
We prepared a sample of oxirane doubly deuterated at one C atom and studied its rotational spectrum in the laboratory for the first time between 120 GHz and 1094 GHz. Accurate spectroscopic parameters up to eighth order were determined, and the calculated rest frequencies were used to identify -CDCHO tentatively in the interstellar medium in the Atacama Large Millimeter/submillimeter Array Protostellar Interferometric Line Survey (PILS) of the Class 0 protostellar system IRAS 16293-2422. The -CDCHO to -CHO ratio was estimated to be 0.054 with K. This value translates to a D-to-H ratio of 0.16 per H atom which is higher by a factor of 4.5 than the 0.036 per H atom obtained for -CHDO. Such increase in the degree of deuteration referenced to one H atom in multiply deuterated isotopologs compared to their singly deuterated variants have been observed commonly in recent years.
期刊介绍:
The Journal of Molecular Spectroscopy presents experimental and theoretical articles on all subjects relevant to molecular spectroscopy and its modern applications. An international medium for the publication of some of the most significant research in the field, the Journal of Molecular Spectroscopy is an invaluable resource for astrophysicists, chemists, physicists, engineers, and others involved in molecular spectroscopy research and practice.