首次报道使用同步辐射对乙醇(CH3CH2OH)的cco弯曲模式进行高分辨率远红外光谱研究

IF 4.6 2区 化学 Q1 SPECTROSCOPY
Indranath Mukhopadhyay
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引用次数: 0

摘要

本文利用同步辐射辅助傅立叶变换光谱仪,在不同物理条件下,记录了cco弯曲带对应的高分辨率(0.0002 cm−1)远红外(FIR)傅立叶变换光谱,其中心约为420 cm-1。在这项工作中使用的频谱是在−60℃的较低温度下记录的,并显示出高信噪比(S/N)。这使得识别弱过渡线成为可能。光谱呈现出典型的平行带结构,其特征是在大约420 cm-1处有一个明确的q分支,两侧有P分支和r分支。在不同的物理条件下,在不同的运行中覆盖了50-1200 cm-1范围内的完整频谱,这将在后面的小节中详细讨论。为了便于分配(Kσ)态的各个分支,光谱被安排成卢米斯-伍德型排列。在光谱中,对K = 0到9进行了赋值,trans (e0)物种的J值高达35。在K = 1到K = 4时观察到不对称分裂。强q分支线已被观察到。对应的高K值的q支路支持赋值。已经确定了大约500个转变,并准确地确定了弯曲模式的术语值。利用组合差并将其与众所周知的基态能量差进行比较,确定了分配。得到了弯曲态的状态相关分子参数。已编制了一份包含约9000条光谱线的广泛地图集作为附录。除了具有基本价值外,这项工作还将有助于利用JWST和斯皮策望远镜上的红外探测器在0.6-38 μm范围内识别星际空间(ISM)中的乙醇。这篇论文代表了乙醇除扭振型以外的任何振动模式的首次高分辨率研究。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

First reported high-resolution far-infrared spectral study of the CCO-bending mode of ethyl alcohol (CH3CH2OH), using synchrotron radiation

First reported high-resolution far-infrared spectral study of the CCO-bending mode of ethyl alcohol (CH3CH2OH), using synchrotron radiation
In this work, the high-resolution (0.0002 cm−1) far-infrared (FIR) Fourier transform spectrum corresponding to the CCO-bending band, centered around 420 cm-1, has been recorded using the Synchrotron radiation-assisted Fourier transform spectrometer at the Canadian Light Sources under various physical conditions. The spectrum used in this work was recorded at a lower temperature of −60 degrees C and demonstrates a high signal-to-noise (S/N) ratio. This made it possible to identify weak transition lines. The spectrum exhibits a typical parallel band structure, characterized by a well-defined Q-branch at approximately 420 cm-1, with P- and R-branches on either side. The complete spectrum in the range of 50–1200 cm-1 was covered in various runs under varied physical conditions, as discussed in detail in a later section. The spectra have been arranged in Loomis-Wood type arrangements to facilitate assignments of various sub-branches for (Kσ) states. In the spectrum, assignments have been carried out for K = 0 to 9, with J values up to 35 for the trans (e0) species. Asymmetry splitting has been observed for K = 1 through 4. Strong Q-branch lines have been observed. Corresponding Q-branch lines for higher K values have supported the assignments. About 500 transitions have been identified, and the term values for the bending mode have been determined accurately. The assignments have been confirmed using combination differences and comparing them with well-known ground state energy differences. The state-dependent molecular parameters for the bending state have been obtained. An extensive atlas of approximately 9000 spectral lines has been prepared as an appendix. Apart from being of fundamental value, this work will help identify Ethyl Alcohol in interstellar space (ISM) using infrared (IR) detectors on board JWST and Spitzer in the range of 0.6–38 μm. This paper represents the first high-resolution study of any vibrational mode of Ethanol other than the torsional modes.
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来源期刊
CiteScore
8.40
自引率
11.40%
发文量
1364
审稿时长
40 days
期刊介绍: Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy (SAA) is an interdisciplinary journal which spans from basic to applied aspects of optical spectroscopy in chemistry, medicine, biology, and materials science. The journal publishes original scientific papers that feature high-quality spectroscopic data and analysis. From the broad range of optical spectroscopies, the emphasis is on electronic, vibrational or rotational spectra of molecules, rather than on spectroscopy based on magnetic moments. Criteria for publication in SAA are novelty, uniqueness, and outstanding quality. Routine applications of spectroscopic techniques and computational methods are not appropriate. Topics of particular interest of Spectrochimica Acta Part A include, but are not limited to: Spectroscopy and dynamics of bioanalytical, biomedical, environmental, and atmospheric sciences, Novel experimental techniques or instrumentation for molecular spectroscopy, Novel theoretical and computational methods, Novel applications in photochemistry and photobiology, Novel interpretational approaches as well as advances in data analysis based on electronic or vibrational spectroscopy.
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