稀有气体、质子结合的HeHHe +、HeHNe +和HeHAr +络合物的星际形成和光谱
The Interstellar Formation and Spectra of the Noble Gas, Proton-Bound HeHHe+, HeHNe+, & HeHAr+ Complexes
摘要：
氦在星际间的绝对丰度使得任何含有氦的束缚分子或复合物都具有天体物理观测的潜在兴趣。这项工作利用高水平和可信的量子化学技术来预测HeHHe+，HeHNe+和HeHAr+的旋转，振动和振转特性。前两个被证明是强烈的约束，而HeHAr+被证明是更多的氩与氦原子的范德华络合物。在任何情况下，通过HeH+与HeH 3+的反应形成HeHHe+是放热的。HeHHe+在7.4微米范围内表现出典型的明亮质子穿梭运动，使其成为在中红外/远红外交叉点进行望远镜观测的可能目标，也是迄今尚未观测到的氢化氦阳离子的可能示踪剂。此外，在HeHNe+中可以观察到接近6.9微米的蓝色。由于氦原子与中心质子的相互作用减少，HeHAr+的最亮模式变暗，但这个基频可以在天体物理学检测到的氩阳离子中的Ar-H伸缩的红色处找到。
英文摘要：
The sheer interstellar abundance of helium makes any bound molecules or complexes containing it of potential interest for astrophysical observation. This work utilizes high-level and trusted quantum chemical techniques to predict the rotational, vibrational, and rovibrational traits of HeHHe+, HeHNe+, and HeHAr+. The first two are shown to be strongly bound, while HeHAr+ is shown to be more of a van der Waals complex of argonium with a helium atom. In any case, the formation of HeHHe+ through reactions of HeH+ with HeH3+ is exothermic. HeHHe+ exhibits the quintessentially bright proton-shuttle motion present in all proton-bound complexes in the 7.4 micron range making it a possible target for telescopic observation at the mid-IR/far-IR crossover point and a possible tracer for the as-of-yet unobserved helium hydride cation. Furthermore, a similar mode in HeHNe+ can be observed to the blue of this close to 6.9 microns. The brightest mode of HeHAr+ is dimmed due the reduced interaction of the helium atom with the central proton, but this fundamental frequency can be found slightly to the red of the Ar-H stretch in the astrophysically detected argonium cation.
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