A New Band System of the Dicarbon Molecule in the Vacuum Ultraviolet Region,The Journal of Physical Chemistry Letters

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A New Band System of the Dicarbon Molecule in the Vacuum Ultraviolet Region
The Journal of Physical Chemistry Letters ( IF 4.8 ) Pub Date : 2022-11-21 , DOI: 10.1021/acs.jpclett.2c03175
Tonghui Yin _{1,

2} , Liying Ma _{1,

2} , Min Cheng _{1,

2} , Hong Gao _{1,

2}

Affiliation

As one of the most abundant molecules in the universe, the long history of spectroscopic studies of the dicarbon molecule, C₂, reaches back two centuries. While many electronic band systems with upper states below the lowest dissociation threshold have been well characterized, much less is known about transitions to higher-lying states. Here, we report the observation of a new band system of C₂ from the lowest triplet state a³Π_u through a resonance-enhanced multiphoton ionization scheme. The upper state is identified as 1³Σ_g⁺, which is determined to be 61539.0 cm^–1 (7.630 eV) above ground state X¹Σ_g⁺. The spectroscopic parameters determined for the 1³Σ_g⁺ state are in excellent agreement with those predicted by the high-level ab initio calculations. This study paves the way for systematic investigations of the photoabsorption and photodissociation of C₂ in the vacuum ultraviolet region, which has important applications in the field of astrochemistry.

中文翻译：

真空紫外区二碳分子的一个新能带系统

作为宇宙中最丰富的分子之一，对二碳分子 C ₂的光谱研究的悠久历史可以追溯到两个世纪前。虽然许多上层状态低于最低解离阈值的电子能带系统已得到很好的表征，但人们对向更高层状态的转变知之甚少。在这里，我们报告了通过共振增强多光子电离方案从最低三重态a ³ Π _u观察到 C _{2的新能带系统。}上层状态被识别为 1 ³ Σ _g⁺，它被确定为高于基态X ^{1 61539.0 cm}^{–1 (7.630 eV)}Σg ⁺。_{_}^{为 1 3} Σ _g⁺状态确定的光谱参数与高级从头算计算预测的参数非常一致。该研究为系统研究C ₂在真空紫外区的光吸收和光解离奠定了基础，在天体化学领域具有重要应用。

更新日期：2022-11-21

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