{"title":"3000 cm-1 附近 H15NO- 和 H14NO- 的结构和旋转分辨自分离光谱","authors":"Daniel C. Cowles , John W. Farley , J.L Hardwick","doi":"10.1016/j.jms.2024.111915","DOIUrl":null,"url":null,"abstract":"<div><p>The rotationally resolved vibrational autodetachment spectrum of the H<sup>15</sup>NO<sup>–</sup> anion has been observed in the region from 2932 to 3092 <span><math><msup><mrow><mi>cm</mi></mrow><mrow><mo>-</mo><mn>1</mn></mrow></msup></math></span>. <span><math><mrow><msub><mrow><msup><mrow><mspace></mspace></mrow><mi>r</mi></msup><mi>R</mi></mrow><mi>K</mi></msub><mfenced><mrow><mi>N</mi></mrow></mfenced></mrow></math></span> branches were observed for <span><math><mrow><mi>K</mi><mo>=</mo><mn>4</mn></mrow></math></span> through 8, and two <span><math><mrow><msub><mrow><msup><mrow><mspace></mspace></mrow><mi>r</mi></msup><mi>Q</mi></mrow><mi>K</mi></msub><mfenced><mrow><mi>N</mi></mrow></mfenced></mrow></math></span> branches with <span><math><mrow><mi>K</mi><mo>=</mo><mn>5</mn></mrow></math></span> and 6 were assigned. The <span><math><mrow><msub><mrow><msup><mrow><mspace></mspace></mrow><mi>r</mi></msup><mi>Q</mi></mrow><mn>5</mn></msub><mfenced><mrow><mi>N</mi></mrow></mfenced></mrow></math></span> branch of H<sup>14</sup>NO<sup>–</sup> has also been identified. The new observations have allowed a rotational analysis of H<sup>15</sup>NO<sup>–</sup> and have required a re-analysis of the previously observed spectrum of H<sup>14</sup>NO<sup>–</sup>. The spectra are consistent with a ground state (<span><math><msubsup><mi>r</mi><mrow><mi>m</mi></mrow><mfenced><mrow><mn>1</mn></mrow></mfenced></msubsup></math></span>) geometry of <span><math><mrow><msub><mi>r</mi><mrow><mi>NH</mi></mrow></msub><mo>=</mo><mn>1.099</mn><mi>Å</mi></mrow></math></span>, <span><math><mrow><msub><mi>r</mi><mrow><mi>NO</mi></mrow></msub><mo>=</mo><mn>1.330</mn><mi>Å</mi></mrow></math></span>, and <span><math><mrow><mi>∠</mi><mi>H</mi><mi>N</mi><mi>O</mi><mo>=</mo><msup><mrow><mn>105.5</mn></mrow><mo>°</mo></msup></mrow></math></span>, in good agreement with the results of Ellis and Ellison for the N<img>O bond length and comparing well with recent theoretical treatments of this anion. The band has been reassigned as the <span><math><mrow><mfenced><mrow><mrow><mn>0</mn><mo>,</mo><mn>2</mn></mrow><mo>,</mo><mn>0</mn></mrow></mfenced><mo>-</mo><mrow><mo>(</mo><mrow><mn>0</mn><mo>,</mo><mn>0</mn></mrow><mo>,</mo><mn>0</mn><mo>)</mo></mrow></mrow></math></span> band.</p></div>","PeriodicalId":16367,"journal":{"name":"Journal of Molecular Spectroscopy","volume":null,"pages":null},"PeriodicalIF":1.4000,"publicationDate":"2024-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"The structure and rotationally resolved autodetachment spectrum of H15NO– and H14NO– near 3000 cm−1\",\"authors\":\"Daniel C. Cowles , John W. Farley , J.L Hardwick\",\"doi\":\"10.1016/j.jms.2024.111915\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>The rotationally resolved vibrational autodetachment spectrum of the H<sup>15</sup>NO<sup>–</sup> anion has been observed in the region from 2932 to 3092 <span><math><msup><mrow><mi>cm</mi></mrow><mrow><mo>-</mo><mn>1</mn></mrow></msup></math></span>. <span><math><mrow><msub><mrow><msup><mrow><mspace></mspace></mrow><mi>r</mi></msup><mi>R</mi></mrow><mi>K</mi></msub><mfenced><mrow><mi>N</mi></mrow></mfenced></mrow></math></span> branches were observed for <span><math><mrow><mi>K</mi><mo>=</mo><mn>4</mn></mrow></math></span> through 8, and two <span><math><mrow><msub><mrow><msup><mrow><mspace></mspace></mrow><mi>r</mi></msup><mi>Q</mi></mrow><mi>K</mi></msub><mfenced><mrow><mi>N</mi></mrow></mfenced></mrow></math></span> branches with <span><math><mrow><mi>K</mi><mo>=</mo><mn>5</mn></mrow></math></span> and 6 were assigned. The <span><math><mrow><msub><mrow><msup><mrow><mspace></mspace></mrow><mi>r</mi></msup><mi>Q</mi></mrow><mn>5</mn></msub><mfenced><mrow><mi>N</mi></mrow></mfenced></mrow></math></span> branch of H<sup>14</sup>NO<sup>–</sup> has also been identified. The new observations have allowed a rotational analysis of H<sup>15</sup>NO<sup>–</sup> and have required a re-analysis of the previously observed spectrum of H<sup>14</sup>NO<sup>–</sup>. The spectra are consistent with a ground state (<span><math><msubsup><mi>r</mi><mrow><mi>m</mi></mrow><mfenced><mrow><mn>1</mn></mrow></mfenced></msubsup></math></span>) geometry of <span><math><mrow><msub><mi>r</mi><mrow><mi>NH</mi></mrow></msub><mo>=</mo><mn>1.099</mn><mi>Å</mi></mrow></math></span>, <span><math><mrow><msub><mi>r</mi><mrow><mi>NO</mi></mrow></msub><mo>=</mo><mn>1.330</mn><mi>Å</mi></mrow></math></span>, and <span><math><mrow><mi>∠</mi><mi>H</mi><mi>N</mi><mi>O</mi><mo>=</mo><msup><mrow><mn>105.5</mn></mrow><mo>°</mo></msup></mrow></math></span>, in good agreement with the results of Ellis and Ellison for the N<img>O bond length and comparing well with recent theoretical treatments of this anion. The band has been reassigned as the <span><math><mrow><mfenced><mrow><mrow><mn>0</mn><mo>,</mo><mn>2</mn></mrow><mo>,</mo><mn>0</mn></mrow></mfenced><mo>-</mo><mrow><mo>(</mo><mrow><mn>0</mn><mo>,</mo><mn>0</mn></mrow><mo>,</mo><mn>0</mn><mo>)</mo></mrow></mrow></math></span> band.</p></div>\",\"PeriodicalId\":16367,\"journal\":{\"name\":\"Journal of Molecular Spectroscopy\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":1.4000,\"publicationDate\":\"2024-06-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Molecular Spectroscopy\",\"FirstCategoryId\":\"101\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0022285224000420\",\"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/S0022285224000420","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}
The structure and rotationally resolved autodetachment spectrum of H15NO– and H14NO– near 3000 cm−1
The rotationally resolved vibrational autodetachment spectrum of the H15NO– anion has been observed in the region from 2932 to 3092 . branches were observed for through 8, and two branches with and 6 were assigned. The branch of H14NO– has also been identified. The new observations have allowed a rotational analysis of H15NO– and have required a re-analysis of the previously observed spectrum of H14NO–. The spectra are consistent with a ground state () geometry of , , and , in good agreement with the results of Ellis and Ellison for the NO bond length and comparing well with recent theoretical treatments of this anion. The band has been reassigned as the band.
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.