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首页> 外文期刊>Spectrochimica acta, Part A. Molecular and biomolecular spectroscopy >High resolution TDL spectroscopy of the Ar-CH4 complex
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High resolution TDL spectroscopy of the Ar-CH4 complex

机译:Ar-CH4络合物的高分辨率TDL光谱

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The spectrum of the weakly bound complex Ar-CH4 in the 7 mum region was discovered, analysed, and compared with a spectrum, predicted from ab initio calculations. The measurements were made by probing a supersonic gas expansion with a tunable diode laser (TDL). Several bands of Ar-CH4 associated with different ro-vibrational transitions of the nu(4) vibration of CH4 were recorded and analysed in a spectral region from 1295 to 1330 cm(-1). In particular the following transitions were studied: j = 1 <-- 0 (at 1311 cm(-1)) reported in Pak et al. [Z. Naturforsch. 53 (1998) 7251, j = 0 <-- 1 (at 1301 cm(-1)), j = 2 <-- 1 (at 1316 cm(-1)), and j = 3 <-- 2 transitions (at 1322 cm(-1)). Here, j denotes the angular momentum of the methane unit inside the complex. Analysis of the recently recorded j = 1 <-- 1 transitions at about 1306 cm(-1) in the region of methane Q(1) is in progress. The experimental results are compared with ab initio calculations. The close agreement between observed and ab initio spectra is convincingly demonstrated with respect to the gross spectral features, including many details of the spectra. (C) 2002 Elsevier Science B.V. All rights reserved. [References: 10]
机译:发现,分析并分析了7个妈妈区域中弱结合的复杂Ar-CH4的光谱,并与从头算计算得出的光谱进行了比较。通过使用可调二极管激光器(TDL)探测超音速气体膨胀来进行测量。在1295至1330 cm(-1)的光谱区域中记录和分析了与CH4的nu(4)振动的不同ro振动转变相关的Ar-CH4的几个谱带。特别是研究了以下转变:Pak等人报道j = 1 <-0(在1311 cm(-1)处)。 [Z. Naturforsch。 53(1998)7251,j = 0 <-1(在1301 cm(-1)时),j = 2 <-1(在1316 cm(-1)时),j = 3 <-2过渡(在1322厘米(-1))。在此,j表示配合物中的甲烷单元的角动量。正在对甲烷Q(1)区域中约1306 cm(-1)处最近记录的j = 1 <-1跃迁进行分析。将实验结果与从头算计算进行比较。关于总光谱特征,包括光谱的许多细节,令人信服地证明了观察到的光谱和从头算光谱之间的紧密一致性。 (C)2002 Elsevier Science B.V.保留所有权利。 [参考:10]

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