一种改进的甲醛的振转线性分子\spec{h212c16o}
An improved rovibrational linelist of formaldehyde, \spec{h212c16o}
摘要:
发表的高分辨率旋转振动跃迁的\spec{h212c16o},主要同位素的甲醛,使用MARVEL(测量的主动旋转振动能级)程序进行了分析。文献结果得到了新的,高精度的测量纯旋转跃迁内的地面,$ν_3$,$ν_4$,和$ν_6$振动状态。在处理的\nbNonRedTr \非冗余跃迁中,来自包括本工作的\nbSr \源,\nbValTr \可以被验证,提供具有统计上明确定义的不确定性的\spec{h212c16o} \的\nbEl \经验能级。确定的所有经验旋转-振动能级用于提高ExoMol的热甲醛AYTY谱线列表的准确性。整理实验跃迁的完整列表,确定的经验能级,以及扩展和改进的行列表作为补充材料提供。
英文摘要:
Published high-resolution rotation-vibration transitions of \spec{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, $ν_3$, $ν_4$, and $ν_6$ vibrational states. Of the \nbNonRedTr\ non-redundant transitions processed, which come from \nbSr\ sources including the present work, \nbValTr\ could be validated, providing \nbEl\ empirical energy levels of \spec{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.
机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。