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Quality control for infrared radiance of geostationary meteorological satellite using imaginary signal of Fourier transform spectroscopy 利用傅里叶变换光谱虚信号控制地球同步气象卫星红外辐射质量
IF 1.9 3区 物理与天体物理 Q2 OPTICS Pub Date : 2025-11-01 DOI: 10.1016/j.jqsrt.2025.109733
Yoshifumi Ota
In this study, we explored the spectral characteristics of radiance data collected by the Geostationary Interferometric Infrared Sounder (GIIRS) aboard the Feng-Yun-4B (FY-4B) geostationary meteorological satellite. We compared GIIRS brightness temperature observations with the first guess from the regional numerical weather forecast model of the Japan Meteorological Agency, and analyzed the bias errors in brightness temperature under clear-sky conditions. In the longwave band, we observed checkerboard patterns of bias error distributions in the CO2 channel. Focusing on the imaginary signals from the radiance data obtained through interferometry with a Fourier transform spectrometer, we believe that the observed bias errors are primarily attributed to electrical factors rather than GIIRS interferometry itself, and most of these errors can be corrected by estimating them in advance. Conversely, in the midwave band, we observed concave bias error distributions in the GIIRS instrument’s dwell, indicating that these may be related to GIIRS interferometry. Additionally, we examined the characteristics of the imaginary signal under cloudy conditions by comparing it with the cloud physical property products from Himawari-9. It was observed that large imaginary signals tended to appear in GIIRS data for scenes with high clouds and low brightness temperatures. This indicates that the imaginary signal could serve as auxiliary information for assessing whether observations are influenced by clouds, particularly high clouds including optically thin cirrus clouds. For the quantitative use of GIIRS data, it is important to consider these bias errors and perform quality control using the imaginary signal.
本文研究了风云- 4b (FY-4B)同步气象卫星上的地球同步干涉红外测深仪(GIIRS)采集的辐射数据的光谱特征。将GIIRS的亮度温度观测值与日本气象厅区域数值天气预报模式的首次估算值进行比较,分析了晴空条件下亮度温度的偏差。在长波波段,我们观察到CO2通道中的偏差误差分布呈棋盘状。通过傅里叶变换光谱仪干涉测量得到的辐射亮度数据中的虚信号,我们认为观测到的偏置误差主要是由电因素引起的,而不是由干涉测量本身引起的,这些误差大部分可以通过预先估计来纠正。相反,在中波波段,我们观察到GIIRS仪器驻留的凹偏置误差分布,表明这些可能与GIIRS干涉测量有关。此外,通过与Himawari-9的云物性产品进行比较,我们研究了多云条件下虚信号的特征。研究发现,在高云和低亮温的场景下,红外遥感数据往往出现较大的虚信号。这表明虚信号可以作为辅助信息,用于评估观测是否受到云的影响,特别是包括光学薄卷云在内的高空云。对于GIIRS数据的定量使用,重要的是要考虑这些偏差误差,并使用虚信号进行质量控制。
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引用次数: 0
High-resolution ro-vibrational analysis of HCFC-22: Deciphering ν4 and 2ν6 bands of 12CH35ClF2 and ν4 band of 13CH35ClF2 species HCFC-22的高分辨率反振动分析:破译12CH35ClF2的ν 4和2 ν 6波段和13CH35ClF2的ν 4波段
IF 1.9 3区 物理与天体物理 Q2 OPTICS Pub Date : 2025-10-31 DOI: 10.1016/j.jqsrt.2025.109721
Egor O. Dobrolyubov , Ilya M. Efremov , Sergey V. Krasnoshchekov , Igor V. Polyakov , Vladimir B. Laptev , Sergey A. Klimin , Dmitry V. Millionshchikov , Olga V. Naumenko
<div><div>A ro-vibrational analysis of a high-resolution IR spectrum of an isotopic mixture of the atmospheric pollutant chlorodifluoromethane (HCFC-22), enriched in <sup>13</sup>C to 29.8 ± 0.14%, was performed in the range of 779–849 cm<sup>−1</sup>, and the identification of spectral features was limited to most abundant species <sup>12</sup>CH<sup>35</sup>ClF2 and <sup>13</sup>CH<sup>35</sup>ClF<sub>2</sub>. The spectrum was recorded on a Bruker IFS-125HR FT spectrometer at room temperature with a resolution of <span><math><mo>≈</mo></math></span>0.001 cm<sup>−1</sup>. The inverse spectroscopic problem for the main isotopologue <sup>12</sup>CH<sup>35</sup>ClF<sub>2</sub> was solved with Watson-type <span><math><mi>A</mi></math></span>-reduced effective Hamiltonian (<span><math><msub><mrow><mi>H</mi></mrow><mrow><mi>eff</mi></mrow></msub></math></span>) with accounting of the <span><math><mrow><msub><mrow><mi>ν</mi></mrow><mrow><mn>4</mn></mrow></msub><mo>/</mo><mn>2</mn><msub><mrow><mi>ν</mi></mrow><mrow><mn>6</mn></mrow></msub></mrow></math></span> Fermi resonance and the <span><math><mrow><msub><mrow><mi>ν</mi></mrow><mrow><mn>4</mn></mrow></msub><mo>/</mo><msub><mrow><mi>ν</mi></mrow><mrow><mn>6</mn></mrow></msub><mo>+</mo><msub><mrow><mi>ν</mi></mrow><mrow><mn>9</mn></mrow></msub></mrow></math></span> Coriolis resonance. The identified 3003 transitions of <span><math><msub><mrow><mi>ν</mi></mrow><mrow><mn>4</mn></mrow></msub></math></span> and 1265 transitions of <span><math><mrow><mn>2</mn><msub><mrow><mi>ν</mi></mrow><mrow><mn>6</mn></mrow></msub></mrow></math></span> produced 1598 empirical upper energy levels of the <span><math><msub><mrow><mi>ν</mi></mrow><mrow><mn>4</mn></mrow></msub></math></span> (<span><math><mrow><mi>J</mi><mo>≤</mo><mn>81</mn><mo>,</mo><msub><mrow><mi>K</mi></mrow><mrow><mi>a</mi></mrow></msub><mo>≤</mo><mn>13</mn></mrow></math></span>) and 840 levels of the <span><math><mrow><mn>2</mn><msub><mrow><mi>ν</mi></mrow><mrow><mn>6</mn></mrow></msub></mrow></math></span> band (<span><math><mrow><mi>J</mi><mo>≤</mo><mn>71</mn><mo>,</mo><msub><mrow><mi>K</mi></mrow><mrow><mi>a</mi></mrow></msub><mo>≤</mo><mn>11</mn></mrow></math></span>) with RMSD = 2.92<span><math><mrow><mo>×</mo><mn>1</mn><msup><mrow><mn>0</mn></mrow><mrow><mo>−</mo><mn>4</mn></mrow></msup></mrow></math></span> cm<sup>−1</sup>. For the <sup>13</sup>CH<sup>35</sup>ClF<sub>2</sub> isotopologue, 670 transitions and corresponding empirical 350 energy levels of <span><math><msub><mrow><mi>ν</mi></mrow><mrow><mn>4</mn></mrow></msub></math></span> band (<span><math><mrow><mi>J</mi><mo>≤</mo><mn>34</mn><mo>,</mo><msub><mrow><mi>K</mi></mrow><mrow><mi>a</mi></mrow></msub><mo>≤</mo><mn>10</mn></mrow></math></span>) were identified for the first time. The effective model consisted of a <span><math><mrow><msub><mrow><mi>ν</mi></mrow><mrow><mn>4</mn></mrow></msub><mo>/</mo><msub><mrow><mi>ν</mi></mrow><mrow><mn>6</mn></mrow></msub><mo>+</mo><msub><mrow><mi>ν</mi>
对大气污染物氯二氟甲烷(HCFC-22)的同位素混合物(13C ~ 29.8±0.14%)在779 ~ 849 cm−1范围内的高分辨率红外光谱进行了反振动分析,光谱特征仅限于最丰富的12CH35ClF2和13CH35ClF2。光谱记录在布鲁克IFS-125HR光谱仪上,分辨率为≈0.001 cm−1。采用考虑ν4/ν 2ν6费米共振和ν4/ν6+ν9科里奥利共振的华生a型简化有效哈密顿量(Heff)求解了主同位素体12CH35ClF2的反光谱问题。确定的ν4的3003个跃迁和2ν6的1265个跃迁产生了ν4的1598个经验高能能级(J≤81,Ka≤13)和2ν6的840个经验高能能级(J≤71,Ka≤11),RMSD = 2.92×10−4 cm−1。对于13CH35ClF2同位素,首次发现了670个跃迁和对应的ν4波段(J≤34,Ka≤10)的350个经验能级。有效模型由ν4/ν6+ν9相互作用双元组成,再现的经验能级RMSD=4.97×10−4 cm−1。利用四阶Van Vleck算子摄动理论CVPT(4)与CCSD(T)/cc-pVTZ &; CCSD(T)/ augg -cc- pv (Q+d)Z势能和偶极矩混合曲面得到的自定义有效偶极矩算子计算振动-旋转跃迁的理论强度,大大简化了所研究的高拥塞谱的分配。实验光谱的解密使用Python软件包和广泛的可视化图形工具进行。
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The spectrum was recorded on a Bruker IFS-125HR FT spectrometer at room temperature with a resolution of &lt;span&gt;&lt;math&gt;&lt;mo&gt;≈&lt;/mo&gt;&lt;/math&gt;&lt;/span&gt;0.001 cm&lt;sup&gt;−1&lt;/sup&gt;. The inverse spectroscopic problem for the main isotopologue &lt;sup&gt;12&lt;/sup&gt;CH&lt;sup&gt;35&lt;/sup&gt;ClF&lt;sub&gt;2&lt;/sub&gt; was solved with Watson-type &lt;span&gt;&lt;math&gt;&lt;mi&gt;A&lt;/mi&gt;&lt;/math&gt;&lt;/span&gt;-reduced effective Hamiltonian (&lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;H&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;eff&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt;) with accounting of the &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;ν&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;4&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;mo&gt;/&lt;/mo&gt;&lt;mn&gt;2&lt;/mn&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;ν&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;6&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt; Fermi resonance and the &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;ν&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;4&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;mo&gt;/&lt;/mo&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;ν&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;6&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;mo&gt;+&lt;/mo&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;ν&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;9&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt; Coriolis resonance. The identified 3003 transitions of &lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;ν&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;4&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt; and 1265 transitions of &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mn&gt;2&lt;/mn&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;ν&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;6&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt; produced 1598 empirical upper energy levels of the &lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;ν&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;4&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt; (&lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mi&gt;J&lt;/mi&gt;&lt;mo&gt;≤&lt;/mo&gt;&lt;mn&gt;81&lt;/mn&gt;&lt;mo&gt;,&lt;/mo&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;K&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;a&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;mo&gt;≤&lt;/mo&gt;&lt;mn&gt;13&lt;/mn&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;) and 840 levels of the &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mn&gt;2&lt;/mn&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;ν&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;6&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt; band (&lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mi&gt;J&lt;/mi&gt;&lt;mo&gt;≤&lt;/mo&gt;&lt;mn&gt;71&lt;/mn&gt;&lt;mo&gt;,&lt;/mo&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;K&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;a&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;mo&gt;≤&lt;/mo&gt;&lt;mn&gt;11&lt;/mn&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;) with RMSD = 2.92&lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mo&gt;×&lt;/mo&gt;&lt;mn&gt;1&lt;/mn&gt;&lt;msup&gt;&lt;mrow&gt;&lt;mn&gt;0&lt;/mn&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mo&gt;−&lt;/mo&gt;&lt;mn&gt;4&lt;/mn&gt;&lt;/mrow&gt;&lt;/msup&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt; cm&lt;sup&gt;−1&lt;/sup&gt;. For the &lt;sup&gt;13&lt;/sup&gt;CH&lt;sup&gt;35&lt;/sup&gt;ClF&lt;sub&gt;2&lt;/sub&gt; isotopologue, 670 transitions and corresponding empirical 350 energy levels of &lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;ν&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;4&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt; band (&lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mi&gt;J&lt;/mi&gt;&lt;mo&gt;≤&lt;/mo&gt;&lt;mn&gt;34&lt;/mn&gt;&lt;mo&gt;,&lt;/mo&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;K&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mi&gt;a&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;mo&gt;≤&lt;/mo&gt;&lt;mn&gt;10&lt;/mn&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt;) were identified for the first time. The effective model consisted of a &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;ν&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;4&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;mo&gt;/&lt;/mo&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;ν&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;6&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;mo&gt;+&lt;/mo&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;ν&lt;/mi&gt;","PeriodicalId":16935,"journal":{"name":"Journal of Quantitative Spectroscopy & Radiative Transfer","volume":"348 ","pages":"Article 109721"},"PeriodicalIF":1.9,"publicationDate":"2025-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145412040","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Investigation of ultraviolet spectrum and energy level assignments of Gd I in the 305–325nm region Gd I在305-325 nm区域的紫外光谱和能级分配研究
IF 1.9 3区 物理与天体物理 Q2 OPTICS Pub Date : 2025-10-31 DOI: 10.1016/j.jqsrt.2025.109731
Yun-Fei Li , Jun-Yao Zhang , Jing-Yi Xiong , Kai-Chen Ma , Li-De Wang , Cai-Hua Zhu
The ultraviolet spectrum of Gd I in the 305–325 nm range was studied using resonance ionization spectroscopy, revealing 196 transition lines, including 66 strong ones. The lower and upper energy levels were assigned to 190 lines by combining available reference data with pump–probe verification, 172 of which are reported for the first time. Seventeen new even-parity high-lying excited states were also identified. The strong lines reported here will contribute to future studies of Gd I Rydberg and autoionization states and enable two-color, two-step photoionization pathways for isotope separation and resonance ionization mass spectrometry analysis.
利用共振电离光谱研究了Gd I在305 ~ 325 nm范围内的紫外光谱,共发现196条过渡谱线,其中强过渡谱线66条。结合现有参考数据和泵-探针验证,对190条管线进行了上下能级划分,其中172条管线为首次报告。还发现了17个新的偶宇称高位激发态。本文报道的强谱线将有助于未来Gd I Rydberg和自电离态的研究,并为同位素分离和共振电离质谱分析提供双色、两步光电离途径。
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引用次数: 0
Corrigendum to “A practical guide to coding line-by-line trace gas absorption in Earth's atmosphere” [Journal of Quantitative Spectroscopy & Radiative Transfer 337 (2025) 109345] “对地球大气中逐行微量气体吸收进行编码的实用指南”的勘误表[定量光谱学与辐射传输杂志337 (2025)109345]
IF 1.9 3区 物理与天体物理 Q2 OPTICS Pub Date : 2025-10-30 DOI: 10.1016/j.jqsrt.2025.109713
S. Korkin , A.M. Sayer , A. Ibrahim , A. Lyapustin
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引用次数: 0
Tuning the electromagnetic density spectral function in a graphene–dielectric micro-cavity 石墨烯-介电介质微腔中电磁密度谱函数的调谐
IF 1.9 3区 物理与天体物理 Q2 OPTICS Pub Date : 2025-10-28 DOI: 10.1016/j.jqsrt.2025.109716
Julieta Olivo , Hernán Ferrari , Jorge L. Blengino Albrieu , Mauro Cuevas
This work focuses on the study of the electromagnetic density spectral function (DSF) near a graphene–dielectric cavity. The cavity is formed in the space confined by the base of a dielectric micro-cube and a planar graphene sheet covering a dielectric substrate. The size and refractive index of the micro-cube, the constitutive parameters of graphene, and the gap between the dielectric cube and the graphene sheet determine the modifications to the DSF. We have developed a method based on the coupled dipole approximation (CDA), incorporating the surface Green’s tensor to account for the scattering processes with the graphene substrate, thereby rigorously modeling the electromagnetic problem. Our results reveal three well-distinguishable peaks in the DSF spectrum, which are attributed to the isolated micro-cube, the graphene substrate, and their mutual interaction. Specific parameters allow for the selective tuning of an individual peak’s properties, with minimal crosstalk to other spectral features. Using simple physical arguments related to the kinetic characteristics of surface plasmons (SPs) on graphene, we explain the key dependencies on constitutive and geometrical parameters.
本文主要研究石墨烯介电腔附近的电磁密度谱函数(DSF)。该空腔形成于由介电微立方体的基底和覆盖介电衬底的平面石墨烯片所限制的空间中。微立方体的尺寸和折射率、石墨烯的本构参数以及介质立方体与石墨烯片之间的间隙决定了对DSF的修改。我们开发了一种基于耦合偶极子近似(CDA)的方法,结合表面格林张量来解释石墨烯衬底的散射过程,从而严格模拟电磁问题。我们的研究结果揭示了DSF光谱中三个很好区分的峰,这归因于孤立的微立方体,石墨烯衬底及其相互作用。特定的参数允许对单个峰的属性进行选择性调谐,并且对其他光谱特征的串扰最小。使用与石墨烯表面等离子体(SPs)的动力学特性相关的简单物理参数,我们解释了本构和几何参数的关键依赖关系。
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引用次数: 0
Theoretical studies of allowed (E1) and forbidden (E2) transitions in Zr+29 Zr + 29中允许(E1)和禁止(E2)跃迁的理论研究
IF 1.9 3区 物理与天体物理 Q2 OPTICS Pub Date : 2025-10-27 DOI: 10.1016/j.jqsrt.2025.109719
S. Eser , G. Günday Konan , B. Karaçoban Usta , İ. Gülsoy
In this study, level energies, their radiative lifetimes and Landé g-factors, wavelengths, transition probabilities, weighted oscillator strengths and line strengths for electric dipole (E1) and electric quadrupole (E2) transitions of sodium-like zirconium (Zr+29(Zr XXX), Z = 40) are determined. Four atomic codes are used in the calculations: the pseudo-relativistic Hartree–Fock code, including superposition of configurations with relativistic corrections (Cowan’s HFR method), the multiconfiguration Hartree–Fock (MCHF) method within the framework of Breit–Pauli relativistic corrections, the AUTOSTRUCTURE code, which includes Breit interactions and quantum electrodynamics contributions, and the general-purpose relativistic atomic structure package (GRASP) based on a fully relativistic multiconfiguration Dirac–Fock (MCDF) method. Our data set is compared with other results available in the literature. Furthermore, we present new atomic data for Zr+29, which have not been published previously. The present results are reported as reference points for future calculations and measurements.
本研究确定了类钠锆(Zr+29(Zr XXX), Z = 40)电偶极子(E1)和电四极子(E2)跃迁的能级能、辐射寿命和land g因子、波长、跃迁概率、加权振子强度和线强度。计算中使用了四种原子代码:伪相对论Hartree-Fock代码,包括带相对论修正的组态叠加(Cowan的HFR方法),Breit - pauli相对论修正框架内的多组态Hartree-Fock (MCHF)方法,AUTOSTRUCTURE代码,包括Breit相互作用和量子电动力学贡献,以及基于完全相对论多组态Dirac-Fock (MCDF)方法的通用相对论原子结构包(GRASP)。我们的数据集与文献中其他可用的结果进行了比较。此外,我们提出了Zr+29的新原子数据,这是以前没有发表过的。本报告的结果作为今后计算和测量的参考点。
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引用次数: 0
First high-resolution spectral study of the far infrared fundamental OH- torsional band of ethyl alcohol (CH3CH2OH), using synchrotron radiation 首次使用同步辐射对乙醇(CH3CH2OH)的远红外基羟基扭带进行高分辨率光谱研究
IF 1.9 3区 物理与天体物理 Q2 OPTICS Pub Date : 2025-10-27 DOI: 10.1016/j.jqsrt.2025.109707
Indranath Mukhopadhyay
In this work, the high-resolution far infrared (FIR) and infrared (IR) spectrum of ethyl alcohol has been recorded in the range 50–1200 cm-1, with an excellent signal-to-noise (S/N) ratio, using a synchrotron radiation-based Fourier transform spectrometer. This spectrum, along with the spectrum obtained earlier with a conventional Fourier transform spectrometer in the range 15–350 cm-1, has been utilized to assign many ∆K=±1 transitions from the trans- or anti and gauche-states in the ground state to connect the lowest lying state (o2) for the first excited OH torsional vibrational band. Since the transitions originating from the trans- states are the strongest mode, the terminating state is termed trans (anti) State (o2). However, this state has odd parity. In addition, many millimeter (MMW) wave transitions have been measured elsewhere and assigned. The assignments have been rigorously confirmed using several complementary methods. An expanded appendix (Appendix-1) of about 8000 accurate wavenumbers of assigned transitions in the millimeter (MMW), FIR, and IR regions has been prepared and is being submitted as a depository. The assignments allowed indirect energy differences between the trans- and gauche states in the ground state, which are not otherwise obtainable via dipole selection rules. The accurate wavenumbers should help detect ethanol in interstellar space, particularly using the IR telescopes, and for further studies on intricate interactions between the various vibrational modes and rotation. This is the first time high-resolution studies have been performed in the elusive excited torsional state of ethyl alcohol. The reported transition wavenumber should have an uncertainty of less than ±0.0002 cm-1
在这项工作中,使用基于同步辐射的傅立叶变换光谱仪,在50-1200 cm-1范围内记录了乙醇的高分辨率远红外(FIR)和红外(IR)光谱,具有良好的信噪比(S/N)。该光谱与之前使用传统傅立叶变换光谱仪在15-350 cm-1范围内获得的光谱一起,已被用于分配基态中反或反和扭扭态的许多∆K=±1跃迁,以连接第一个激发OH扭转振动带的最低分布态(o2)。由于源自反态的跃迁是最强的模式,终止态被称为反态(o2)。然而,这种状态有奇偶校验。此外,许多毫米波跃迁已经在其他地方测量和分配。用几种互补的方法对赋值进行了严格的确认。已经编制了一个扩展附录(附录-1),其中包含了毫米(MMW)、FIR和IR区域中约8000个精确的指定跃迁波数,并正在作为存档提交。这种分配允许在基态的反式态和间扭态之间存在间接的能量差异,这是通过偶极子选择规则无法获得的。准确的波数应该有助于探测星际空间中的乙醇,特别是使用红外望远镜,以及进一步研究各种振动模式和旋转之间复杂的相互作用。这是首次在难以捉摸的乙醇激发态中进行高分辨率研究。报告的跃迁波数的不确定度应小于±0.0002 cm-1
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引用次数: 0
A comparison of time-dependent Cloudy astrophysical code simulations with experimental X-ray spectra from keV laser-generated argon plasmas 随时间变化的多云天体物理代码模拟与keV激光产生的氩等离子体实验x射线光谱的比较
IF 1.9 3区 物理与天体物理 Q2 OPTICS Pub Date : 2025-10-26 DOI: 10.1016/j.jqsrt.2025.109720
N. Rathee , F.P. Keenan , R.J.R. Williams , G.J. Ferland , S.J. Rose , S. White , D. Riley
We have generated strongly photoionized Ar plasmas in experiments designed to use primarily X-ray l-shell line emission generated from Ag foils irradiated by the VULCAN high-power laser at the UK Central Laser Facility. The principle of the experiment is that use of line emission rather than the usual sub-keV quasi-blackbody source allows keV radiation to play a more dominant role compared to softer X-rays and thus mimic the effect of a blackbody with a higher effective spectral temperature. Our aim is to reproduce in the laboratory the extreme photoionization conditions found in accretion-powered astrophysical sources. In this paper, we compare the experimental results on K-β X-ray Ar spectra with modelling using the time-dependent version of the Cloudy astrophysical code. The results indicate that photoionized laboratory plasmas can be successfully modelled with codes such as Cloudy that have been developed for application to astrophysical sources. Our comparison of simulation and experiment shows that the flux of sub-keV photons that photoionize the outer-shell electrons can have a significant effect, and that detailed measurements of the X-ray drive spectrum across all photon energy ranges are crucial for accurate modelling of experiments.
在实验中,我们主要利用英国中央激光设施VULCAN高功率激光器照射银箔产生的x射线l-壳线发射,产生了强烈的光离氩等离子体。实验的原理是,使用线发射而不是通常的亚keV准黑体源,使得keV辐射与较软的x射线相比发挥更主要的作用,从而模拟具有更高有效光谱温度的黑体的效果。我们的目标是在实验室中重现在吸积动力天体物理源中发现的极端光电离条件。在本文中,我们比较了K-β x射线Ar光谱的实验结果与使用云天体物理代码的时间依赖版本的建模。结果表明,光电离的实验室等离子体可以成功地模拟代码,如云已经开发应用于天体物理源。我们的模拟和实验对比表明,亚kev光子的通量可以使外层电子光电离,并且在所有光子能量范围内的x射线驱动谱的详细测量对于精确模拟实验至关重要。
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引用次数: 0
Quantitative infrared cross sections of vapor-phase perfluoroalkanoyl fluorides (C5 to C8) 气相全氟烷酰氟化物(C5 ~ C8)的定量红外截面
IF 1.9 3区 物理与天体物理 Q2 OPTICS Pub Date : 2025-10-25 DOI: 10.1016/j.jqsrt.2025.109715
Tracy J. Baker, Michael J. Wilhelm, Kendall D. Hughey, Kai-For Mo, Zoe M. Comstock, Timothy J. Johnson
Quantitative infrared absorption cross sections for a series of four vapor-phase perfluoroalkanoyl fluorides at 50 °C are reported for the first time, namely the C5 to C8 homologues, perfluoropentanoyl fluoride (PFPeF), perfluorohexanoyl fluoride (PFHxF), perfluoroheptanoyl fluoride (PFHpF), and perfluorooctanoyl fluoride (PFOF). The integrated band strengths of the C-F bands centered near 1250 cm-1 increase with chain length and represent some of the strongest infrared band strengths reported to date for any species, approximately 7 × 10–3 (1/ppm-m) (2.7 × 10–16 cm/molecule) for the perfluorooctanoyl fluoride. The perfluoroalkanoyl fluorides are also analyzed and the results interpreted via molecular modeling at the B3LYP/6–31G(d,p) level of theory. The DFT results revealed that while the data are indeed for pure species, the observed IR spectra need to be recognized as composite spectra of multiple conformers.
首次报道了四种气相全氟烷酰氟化合物(C5 ~ C8同系物、全氟戊烷酰氟(PFPeF)、全氟己烷酰氟(PFHxF)、全氟庚烷酰氟(PFHpF)和全氟辛烷酰氟(PFOF))在50℃下的红外吸收截面。以1250 cm-1为中心的C-F波段的综合波段强度随着链长的增加而增加,是迄今为止报道的所有物种中最强的红外波段强度之一,全氟辛烷酰氟的红外波段强度约为7 × 10-3 (1/ppm-m) (2.7 × 10-16 cm/分子)。对全氟烷酰氟进行了分析,并通过B3LYP/ 6-31G (d,p)理论水平的分子模型对结果进行了解释。DFT结果表明,虽然数据确实是纯物种,但观测到的红外光谱需要被识别为多个构象的复合光谱。
{"title":"Quantitative infrared cross sections of vapor-phase perfluoroalkanoyl fluorides (C5 to C8)","authors":"Tracy J. Baker,&nbsp;Michael J. Wilhelm,&nbsp;Kendall D. Hughey,&nbsp;Kai-For Mo,&nbsp;Zoe M. Comstock,&nbsp;Timothy J. Johnson","doi":"10.1016/j.jqsrt.2025.109715","DOIUrl":"10.1016/j.jqsrt.2025.109715","url":null,"abstract":"<div><div>Quantitative infrared absorption cross sections for a series of four vapor-phase perfluoroalkanoyl fluorides at 50 °C are reported for the first time, namely the C5 to C8 homologues, perfluoropentanoyl fluoride (PFPeF), perfluorohexanoyl fluoride (PFHxF), perfluoroheptanoyl fluoride (PFHpF), and perfluorooctanoyl fluoride (PFOF). The integrated band strengths of the C-F bands centered near 1250 cm<sup>-1</sup> increase with chain length and represent some of the strongest infrared band strengths reported to date for any species, approximately 7 × 10<sup>–3</sup> (1/ppm-m) (2.7 × 10<sup>–16</sup> cm/molecule) for the perfluorooctanoyl fluoride. The perfluoroalkanoyl fluorides are also analyzed and the results interpreted via molecular modeling at the B3LYP/6–31G(d,p) level of theory. The DFT results revealed that while the data are indeed for pure species, the observed IR spectra need to be recognized as composite spectra of multiple conformers.</div></div>","PeriodicalId":16935,"journal":{"name":"Journal of Quantitative Spectroscopy & Radiative Transfer","volume":"348 ","pages":"Article 109715"},"PeriodicalIF":1.9,"publicationDate":"2025-10-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145396443","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A simple analytical model for the reflection function of flat glacier ice surfaces and its application for optical remote sensing of glaciers 冰川平面反射函数的简单解析模型及其在冰川光学遥感中的应用
IF 1.9 3区 物理与天体物理 Q2 OPTICS Pub Date : 2025-10-25 DOI: 10.1016/j.jqsrt.2025.109717
Alexander Kokhanovsky , Lou-Anne Chevrollier , Adrien Wehrlé , Karl Segl , Sabine Chabrillat
We propose simple analytical equations for the modeling of clean and dusty flat glacier ice surfaces, which can be used to inversely derive the parameters of microstructure of flat bare glacier ice and snow using both ground – based and spaceborne observations of the hyperspectral solar reflectance. The retrievals are based on the asymptotic radiative transfer equations valid for the case of weak light absorption in the semi-infinite turbid medium. The light reflection at the air - ice and ice - air interfaces is fully accounted for. To demonstrate the validity of the approach, the derived equations are exemplarily applied to both ground – based and EnMAP satellite measurements over the Hardangerjøkulen glacier (Norway). A number of important parameters controlling spectral signatures of the snow and glacier ice surfaces have been derived. The ground-based measurements confirm that the theoretical formulation presented in this work can be used to represent the solar light spectral reflectivity of glaciers. The application to satellite hyperspectral imagery shows that this novel technique allows for the determination of the glacier ice albedo (spectral, broadband) based on spaceborne glacier ice reflectance measurement. Additionally, the results demonstrate that not spectrally neutral soot but rather deposited atmospheric dust which enhances the absorption towards UV is responsible for the light absorption by snow for the case studied. Spatial distribution maps of ice grain diameter and dust concentration are derived over the glacier. These findings show that the analytical theory presented in this work can support further research on the characterization and monitoring of glaciers based on current and upcoming hyperspectral remote sensing satellite missions.
我们提出了一个简单的解析方程,用于清洁和多尘平坦冰川冰面的建模,该方程可用于利用地面和星载高光谱太阳反射率观测反演平坦裸露冰川冰雪的微观结构参数。所得结果基于半无限浑浊介质中弱光吸收的渐近辐射传递方程。充分考虑了空气-冰和冰-空气界面处的光反射。为了证明该方法的有效性,将推导的方程应用于Hardangerjøkulen冰川(挪威)的地面和EnMAP卫星测量。得到了控制雪和冰川表面光谱特征的一些重要参数。地面测量结果证实,本文提出的理论公式可以用来表示冰川的太阳光谱反射率。在卫星高光谱成像中的应用表明,该技术可以基于星载冰川反射率测量来确定冰川反照率(光谱、宽带)。此外,研究结果表明,不是光谱中性的烟尘,而是沉积的大气尘埃,增强了对紫外线的吸收,是积雪吸收光的原因。得到了冰川上冰粒直径和粉尘浓度的空间分布图。这些发现表明,本工作中提出的分析理论可以支持基于当前和即将到来的高光谱遥感卫星任务的冰川表征和监测的进一步研究。
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Journal of Quantitative Spectroscopy & Radiative Transfer
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