具有天体物理学意义的乙醇(CH3CH2OH)分子在振动基态的高斯态的同步辐射远红外光谱及其他红外观测结果

IF 3.1 3区 物理与天体物理 Q2 INSTRUMENTS & INSTRUMENTATION Infrared Physics & Technology Pub Date : 2024-08-27 DOI:10.1016/j.infrared.2024.105534
Indranath Mukhopadhyay
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About 2000 spectral lines have been assigned, including some accurately calculated lines that fall in the MW and MMW regions. Although transitions between the trans-species and gauche species are not allowed in Ethanol, many resonances and level crossings of energy levels cause forbidden transitions. One such system of level crossings between <span><math><mrow><mi>K</mi><mo>=</mo><mn>10</mn><msub><mi>o</mi><mn>1</mn></msub></mrow></math></span> and <span><math><mrow><mn>12</mn><mi>e</mi><msub><mi>e</mi><mn>0</mn></msub><mn>0</mn></mrow></math></span> has been analyzed in detail, and the interaction coefficient determined. The state mixing seems quite strong and causes forbidden transitions <span><math><mrow><mo>(</mo><mi>Δ</mi><mi>K</mi><mo>=</mo><mn>0</mn><mo>,</mo><mn>2</mn><mo>,</mo><mn>3</mn><mo>)</mo></mrow></math></span>, including transitions for <span><math><mrow><mi>trans</mi><mo>↔</mo><mi>g</mi><mi>a</mi><mi>u</mi><mi>c</mi><mi>h</mi><mi>e</mi></mrow></math></span>, have been found. In addition, many new strong transitions have been assigned, which belong to the trans-species. To extend our work to higher wave numbers to facilitate observations made by the infrared detector on board the James Webb Space Telescope (<em>JWST</em>), the analysis of the torsional fundamental band transitions (around <span><math><mrow><mn>220</mn><msup><mrow><mi>cm</mi></mrow><mrow><mo>-</mo><mn>1</mn></mrow></msup></mrow></math></span>) for <span><math><mrow><msub><mi>o</mi><mn>2</mn></msub><mo>←</mo><msub><mi>e</mi><mn>0</mn></msub></mrow></math></span> and <span><math><mrow><msub><mi>o</mi><mn>2</mn></msub><mo>←</mo><msub><mi>e</mi><mn>1</mn></msub></mrow></math></span> has been taken up. Some of the assignments are discussed here. Lastly, the lower-lying vibrational bands centered around <span><math><mrow><mn>425</mn><msup><mrow><mi>cm</mi></mrow><mrow><mo>-</mo><mn>1</mn></mrow></msup></mrow></math></span> (CCO– bending mode) and the band at around <span><math><mrow><mn>800</mn><msup><mrow><mi>cm</mi></mrow><mrow><mo>-</mo><mn>1</mn></mrow></msup></mrow></math></span> (<span><math><mrow><msub><mrow><mi>CH</mi></mrow><mn>3</mn></msub><mo>-</mo></mrow></math></span> rocking mode) have been recorded. The CCO bending band shows an unmistakable parallel character for the <em>trans</em>-species. The assignment work on the CCO-bending band is in progress, and the assignments for <span><math><mrow><mi>K</mi><mo>=</mo><mn>0</mn><mi>a</mi><mi>n</mi><mi>d</mi><mi>K</mi><mo>=</mo><mn>1</mn><mo>(</mo><mo>+</mo><mi>a</mi><mi>n</mi><mi>d</mi><mo>-</mo><mo>)</mo></mrow></math></span> are included in this report. Accurate term values for the CCO-bending mode could be obtained. The results allowed the determination of the leading rotational constants for the <em>trans</em>-species in the excited vibrational state of the CCO-bending state. The complete known assigned lines of about 16,000 lines for the parent isotopomer and about 650 lines for 13 <span><math><msub><mrow><mo>-</mo><mi>C</mi></mrow><mn>1</mn></msub></math></span> and 13−<span><math><msub><mi>C</mi><mn>2</mn></msub></math></span> (see graphical abstract) substituted Ethanol isotopomers are gathered in <span><span>Appendix I and II</span></span>, respectively. These atlases should be a valuable tool for further energy level analysis and astronomical detection of Ethanol in interstellar space.</p></div>","PeriodicalId":13549,"journal":{"name":"Infrared Physics & Technology","volume":null,"pages":null},"PeriodicalIF":3.1000,"publicationDate":"2024-08-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Synchrotron radiation far infrared spectrum of the astrophysically significant Ethanol (CH3CH2OH) molecule in the gauche states in the vibrational ground state and other infrared observations\",\"authors\":\"Indranath Mukhopadhyay\",\"doi\":\"10.1016/j.infrared.2024.105534\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>In this communication, the analyses of synchrotron radiation far infrared (FIR) spectrum corresponding to the gauche- (<span><math><mrow><msub><mi>e</mi><mn>1</mn></msub><mi>a</mi><mi>n</mi><mi>d</mi><msub><mi>o</mi><mn>1</mn></msub></mrow></math></span>) states of Ethyl Alcohol are reported. Detailed assignments have been performed for b-type transitions for K values ranging from 5 to 32 and up to a maximum J value of 50. The assignments confirmed the earlier microwave (MW) and millimeter wave (MMW) spectroscopic results. The transition wavenumbers have been used to determine the term values for the gauche-states involved for all the K and J values for which observation has been made. About 2000 spectral lines have been assigned, including some accurately calculated lines that fall in the MW and MMW regions. Although transitions between the trans-species and gauche species are not allowed in Ethanol, many resonances and level crossings of energy levels cause forbidden transitions. One such system of level crossings between <span><math><mrow><mi>K</mi><mo>=</mo><mn>10</mn><msub><mi>o</mi><mn>1</mn></msub></mrow></math></span> and <span><math><mrow><mn>12</mn><mi>e</mi><msub><mi>e</mi><mn>0</mn></msub><mn>0</mn></mrow></math></span> has been analyzed in detail, and the interaction coefficient determined. The state mixing seems quite strong and causes forbidden transitions <span><math><mrow><mo>(</mo><mi>Δ</mi><mi>K</mi><mo>=</mo><mn>0</mn><mo>,</mo><mn>2</mn><mo>,</mo><mn>3</mn><mo>)</mo></mrow></math></span>, including transitions for <span><math><mrow><mi>trans</mi><mo>↔</mo><mi>g</mi><mi>a</mi><mi>u</mi><mi>c</mi><mi>h</mi><mi>e</mi></mrow></math></span>, have been found. In addition, many new strong transitions have been assigned, which belong to the trans-species. To extend our work to higher wave numbers to facilitate observations made by the infrared detector on board the James Webb Space Telescope (<em>JWST</em>), the analysis of the torsional fundamental band transitions (around <span><math><mrow><mn>220</mn><msup><mrow><mi>cm</mi></mrow><mrow><mo>-</mo><mn>1</mn></mrow></msup></mrow></math></span>) for <span><math><mrow><msub><mi>o</mi><mn>2</mn></msub><mo>←</mo><msub><mi>e</mi><mn>0</mn></msub></mrow></math></span> and <span><math><mrow><msub><mi>o</mi><mn>2</mn></msub><mo>←</mo><msub><mi>e</mi><mn>1</mn></msub></mrow></math></span> has been taken up. Some of the assignments are discussed here. Lastly, the lower-lying vibrational bands centered around <span><math><mrow><mn>425</mn><msup><mrow><mi>cm</mi></mrow><mrow><mo>-</mo><mn>1</mn></mrow></msup></mrow></math></span> (CCO– bending mode) and the band at around <span><math><mrow><mn>800</mn><msup><mrow><mi>cm</mi></mrow><mrow><mo>-</mo><mn>1</mn></mrow></msup></mrow></math></span> (<span><math><mrow><msub><mrow><mi>CH</mi></mrow><mn>3</mn></msub><mo>-</mo></mrow></math></span> rocking mode) have been recorded. The CCO bending band shows an unmistakable parallel character for the <em>trans</em>-species. The assignment work on the CCO-bending band is in progress, and the assignments for <span><math><mrow><mi>K</mi><mo>=</mo><mn>0</mn><mi>a</mi><mi>n</mi><mi>d</mi><mi>K</mi><mo>=</mo><mn>1</mn><mo>(</mo><mo>+</mo><mi>a</mi><mi>n</mi><mi>d</mi><mo>-</mo><mo>)</mo></mrow></math></span> are included in this report. Accurate term values for the CCO-bending mode could be obtained. The results allowed the determination of the leading rotational constants for the <em>trans</em>-species in the excited vibrational state of the CCO-bending state. The complete known assigned lines of about 16,000 lines for the parent isotopomer and about 650 lines for 13 <span><math><msub><mrow><mo>-</mo><mi>C</mi></mrow><mn>1</mn></msub></math></span> and 13−<span><math><msub><mi>C</mi><mn>2</mn></msub></math></span> (see graphical abstract) substituted Ethanol isotopomers are gathered in <span><span>Appendix I and II</span></span>, respectively. 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引用次数: 0

摘要

本研究报告分析了同步辐射远红外光谱(FIR)中与乙醇的高碳态(e1ando1)相对应的光谱。对 K 值在 5 到 32 之间、最大 J 值为 50 的 b 型跃迁进行了详细的赋值。这些赋值证实了之前的微波(MW)和毫米波(MMW)光谱结果。过渡波数已被用来确定所有 K 值和 J 值的高斯状态所涉及的术语值。已经分配了大约 2000 条谱线,包括一些经过精确计算的属于 MW 和 MMW 区域的谱线。虽然乙醇中不允许跨种和高种之间的跃迁,但许多共振和能级交叉都会导致禁止跃迁。我们对 K=10o1 和 12ee00 之间的一个这样的能级交叉系统进行了详细分析,并确定了相互作用系数。状态混合似乎相当强,并导致了禁止跃迁(ΔK=0,2,3),包括反式↔高切的跃迁。此外,我们还发现了许多新的强跃迁,它们都属于跨物种。为了将我们的工作扩展到更高的波数,以便于詹姆斯-韦伯太空望远镜(JWST)上的红外探测器进行观测,我们对 o2←e0 和 o2←e1 的扭转基带转换(约 220cm-1 )进行了分析。本文讨论了其中的一些分配。最后,还记录了以 425cm-1 为中心的低频振动带(CCO- 弯曲模式)和以 800cm-1 为中心的振动带(CH3- 摇摆模式)。CCO 弯曲带显示出明显的反式平行特征。CCO 弯曲带的赋值工作正在进行中,K=0 和 K=1(+and-)的赋值结果包含在本报告中。可以获得 CCO 弯曲模式的精确项值。根据这些结果,可以确定 CCO 弯曲态激发振动状态下跨物种的主导旋转常数。附录 I 和附录 II 分别收集了母体同素异形体约 16,000 条线和 13 -C1 和 13-C2(见图表摘要)取代乙醇同素异形体约 650 条线的完整已知分配线。这些图集将成为进一步进行能级分析和星际空间乙醇天文探测的宝贵工具。
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Synchrotron radiation far infrared spectrum of the astrophysically significant Ethanol (CH3CH2OH) molecule in the gauche states in the vibrational ground state and other infrared observations

In this communication, the analyses of synchrotron radiation far infrared (FIR) spectrum corresponding to the gauche- (e1ando1) states of Ethyl Alcohol are reported. Detailed assignments have been performed for b-type transitions for K values ranging from 5 to 32 and up to a maximum J value of 50. The assignments confirmed the earlier microwave (MW) and millimeter wave (MMW) spectroscopic results. The transition wavenumbers have been used to determine the term values for the gauche-states involved for all the K and J values for which observation has been made. About 2000 spectral lines have been assigned, including some accurately calculated lines that fall in the MW and MMW regions. Although transitions between the trans-species and gauche species are not allowed in Ethanol, many resonances and level crossings of energy levels cause forbidden transitions. One such system of level crossings between K=10o1 and 12ee00 has been analyzed in detail, and the interaction coefficient determined. The state mixing seems quite strong and causes forbidden transitions (ΔK=0,2,3), including transitions for transgauche, have been found. In addition, many new strong transitions have been assigned, which belong to the trans-species. To extend our work to higher wave numbers to facilitate observations made by the infrared detector on board the James Webb Space Telescope (JWST), the analysis of the torsional fundamental band transitions (around 220cm-1) for o2e0 and o2e1 has been taken up. Some of the assignments are discussed here. Lastly, the lower-lying vibrational bands centered around 425cm-1 (CCO– bending mode) and the band at around 800cm-1 (CH3- rocking mode) have been recorded. The CCO bending band shows an unmistakable parallel character for the trans-species. The assignment work on the CCO-bending band is in progress, and the assignments for K=0andK=1(+and-) are included in this report. Accurate term values for the CCO-bending mode could be obtained. The results allowed the determination of the leading rotational constants for the trans-species in the excited vibrational state of the CCO-bending state. The complete known assigned lines of about 16,000 lines for the parent isotopomer and about 650 lines for 13 -C1 and 13−C2 (see graphical abstract) substituted Ethanol isotopomers are gathered in Appendix I and II, respectively. These atlases should be a valuable tool for further energy level analysis and astronomical detection of Ethanol in interstellar space.

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来源期刊
CiteScore
5.70
自引率
12.10%
发文量
400
审稿时长
67 days
期刊介绍: The Journal covers the entire field of infrared physics and technology: theory, experiment, application, devices and instrumentation. Infrared'' is defined as covering the near, mid and far infrared (terahertz) regions from 0.75um (750nm) to 1mm (300GHz.) Submissions in the 300GHz to 100GHz region may be accepted at the editors discretion if their content is relevant to shorter wavelengths. Submissions must be primarily concerned with and directly relevant to this spectral region. Its core topics can be summarized as the generation, propagation and detection, of infrared radiation; the associated optics, materials and devices; and its use in all fields of science, industry, engineering and medicine. Infrared techniques occur in many different fields, notably spectroscopy and interferometry; material characterization and processing; atmospheric physics, astronomy and space research. Scientific aspects include lasers, quantum optics, quantum electronics, image processing and semiconductor physics. Some important applications are medical diagnostics and treatment, industrial inspection and environmental monitoring.
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