Computations of room-temperature N2-broadening coefficients are performed for 3546 lines in the ν7 infrared absorption band of ethylene to provide data required for atmospheric studies but missing in spectroscopic databases. The calculations are done in the framework of a semi-classical exact-trajectory approach developed previously (Buldyreva and Nguyen, 2008). The active molecule is rigorously treated as an asymmetric top and the perturber is traditionally considered to be in its ground vibrational state. The data are provided for the P,RP-, P,RQ- and P,RR-subbranches (lines with ΔKa=±1 having observable intensities) for (initial) rotational quantum numbers J up to 22, limited by the available numerical energies for the excited vibrational level. Moreover, potentially detectable lines with ΔKa=±3 are also considered for J≤13, limited by high computational cost. Being validated by comparison with existing experimental results, these data can replace unavailable measurements and will be useful for atmospheric/industrial applications.

中文翻译：

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乙烯 [公式省略] 波段中氮诱导的谱线展宽系数的扩展计算


对乙烯 ν7 红外吸收带中的 3546 条线进行室温 N7 展宽系数的计算，以提供大气研究所需的数据，但在光谱数据库中缺失。计算是在先前开发的半经典精确轨迹方法的框架内完成的（Buldyreva 和 Nguyen，2008 年）。活性分子被严格视为不对称顶部，而扰动传统上被认为处于地面振动状态。为（初始）旋转量子数 J 到 22 的 P，RP-、P、RQ- 和 P，RR-子分支（ΔKa=±1 的线具有可观测强度）提供了数据，受激发振动能级的可用数值能量的限制。此外，ΔKa=±3 的潜在可检测谱系也被考虑用于 J≤13，受到高计算成本的限制。通过与现有实验结果的比较进行验证，这些数据可以取代不可用的测量数据，并将用于大气/工业应用。