当前位置: X-MOL 学术J. Quant. Spectrosc. Radiat. Transf. › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
An improved rovibrational linelist of formaldehyde, H212C16O
Journal of Quantitative Spectroscopy and Radiative Transfer ( IF 2.3 ) Pub Date : 2021-02-17 , DOI: 10.1016/j.jqsrt.2021.107563
Afaf R. Al-Derzi , Jonathan Tennyson , Sergei N. Yurchenko , Mattia Melosso , Ningjing Jiang , Cristina Puzzarini , Luca Dore , Tibor Furtenbacher , Roland Tóbiás , Attila G. Császár

Published high-resolution rotation-vibration transitions of H212C16O, the principal isotopologue of methanal, are analyzed using the MARVEL (Measured Active Rotation-Vibration Energy Levels) procedure. The literature results are augmented by new, high-accuracy measurements of pure rotational transitions within the ground, ν3, ν4, and ν6 vibrational states. Of the 16 596 non-redundant transitions processed, which come from 43 sources including the present work, 16 403 could be validated, providing 5029 empirical energy levels of H212C16O with statistically well-defined uncertainties. All the empirical rotational-vibrational energy levels determined are used to improve the accuracy of ExoMol’s AYTY line list for hot formaldehyde. The complete list of collated experimental transitions, the empirical energy levels determined, as well as the extended and improved line list are provided as Supplementary Material.



中文翻译:

甲醛,H的改进的振动列表2个12C16Ø

H的高分辨率高分辨率旋转振动跃迁2个12C16使用MARVEL(测得的主动旋转-振动能级)程序分析甲烷的主要同位素同位素O。新的,高精度的地下纯旋转跃迁测量增加了文献结果,ν3 ν4ν6振动状态。在来自包括本工作在内的43个来源的16596个非冗余过渡中,有16403个可以得到验证,提供了5029 H的经验能级。2个12C16O具有统计上明确定义的不确定性。确定的所有经验旋转振动能级均用于提高ExoMol的AYTY热甲醛清单行的准确性。整理的实验过渡的完整列表,确定的经验能级以及扩展和改进的行列表均作为补充材料提供。

更新日期:2021-03-03
down
wechat
bug