The structure and rotationally resolved autodetachment spectrum of H15NO– and H14NO– near 3000 cm−1

IF 1.4 4区 物理与天体物理 Q4 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL
Daniel C. Cowles , John W. Farley , J.L Hardwick
{"title":"The structure and rotationally resolved autodetachment spectrum of H15NO– and H14NO– near 3000 cm−1","authors":"Daniel C. Cowles ,&nbsp;John W. Farley ,&nbsp;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":"402 ","pages":"Article 111915"},"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}
引用次数: 0

Abstract

The rotationally resolved vibrational autodetachment spectrum of the H15NO anion has been observed in the region from 2932 to 3092 cm-1. rRKN branches were observed for K=4 through 8, and two rQKN branches with K=5 and 6 were assigned. The rQ5N 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 (rm1) geometry of rNH=1.099Å, rNO=1.330Å, and HNO=105.5°, 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 0,2,0-(0,0,0) band.

Abstract Image

3000 cm-1 附近 H15NO- 和 H14NO- 的结构和旋转分辨自分离光谱
在 2932 至 3092 cm-1 区域观察到了 H15NO- 阴离子的旋转分辨振动自分离光谱。观察到 K=4 至 8 的 rRKN 支,以及 K=5 和 6 的两个 rQKN 支。此外,还确定了 H14NO- 的 rQ5N 支。新的观测结果允许对 H15NO- 进行旋转分析,并要求对以前观测到的 H14NO- 光谱进行重新分析。光谱与 rNH=1.099 Å、rNO=1.330 Å 和 ∠HNO=105.5° 的基态 (rm1) 几何结构相一致,与 Ellis 和 Ellison 关于 NO 键长度的研究结果十分吻合,并与最近对这种阴离子的理论处理结果进行了很好的比较。该波段已被重新分配为 0,2,0-(0,0,0) 波段。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
求助全文
约1分钟内获得全文 求助全文
来源期刊
CiteScore
2.70
自引率
21.40%
发文量
94
审稿时长
29 days
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.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信