首页> 外文期刊>The Journal of Chemical Physics >Vibration-rotation pattern in acetylene. II. Introduction of Coriolis coupling in the global model and analysis of emission spectra of hot acetylene around 3 μm
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Vibration-rotation pattern in acetylene. II. Introduction of Coriolis coupling in the global model and analysis of emission spectra of hot acetylene around 3 μm

机译:乙炔中的振动旋转模式。二。在全局模型中引入科里奥利耦合,并分析3μm附近的热乙炔的发射光谱

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摘要

A high temperature source has been developed and coupled to a high resolution Fourier transform spectrometer to record emission spectra of acetylene around 3 μm up to 1455 K under Doppler limited resolution (0.015 cm~(-1)). The v3-ground state (GS) and v2+ v4+ v5 (Σ_u~+ and Δ_u)-GS bands and 76 related hot bands, counting e and f parities separately, are assigned using semiautomatic methods based on a global model to reproduce all related vibration-rotation states. Significantly higher J-values than previously reported are observed for 40 known substates while 37 new e or f vibrational substates, up to about 6000 cm~(-1), are identified and characterized by vibration-rotation parameters. The 3 811 new or improved data resulting from the analysis are merged into the database presented by Robert et al. [Mol. Phys. 106, 2581 (2008)], now including 15 562 lines accessing vibrational states up to 8600 cm~(-1). A global model, updated as compared to the one in the previous paper, allows all lines in the database to be simultaneously fitted, successfully. The updates are discussed taking into account, in particular, the systematic inclusion of Coriolis interaction.
机译:已经开发出高温源并将其耦合到高分辨率傅里叶变换光谱仪,以在多普勒限定分辨率(0.015 cm〜(-1))下记录高达1455 K的3μm左右的乙炔的发射光谱。使用基于全局模型的半自动方法分配v3基态(GS)和v2 + v4 + v5(Σ_u〜+和Δ_u)-GS频段以及76个相关的热频段,分别计算e和f奇偶性,以重现所有相关的振动-旋转状态。对于40个已知的子状态,观察到的J值明显高于以前报告的值,而通过振动-旋转参数识别并表征了37个新的e或f振动子状态,最大可达约6000 cm〜(-1)。分析产生的3811个新数据或改进数据被合并到Robert等人提供的数据库中。 [摩尔物理106,2581(2008)],现在包括15 562条线,其振动状态达到8600 cm〜(-1)。与先前论文相比,全局模型进行了更新,可以成功地同时拟合数据库中的所有行。讨论更新时要特别考虑到科里奥利互动的系统性纳入。

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