Infrared Spectroscopy of Water and Zundel Cations in Helium Nanodroplets.,The Journal of Physical Chemistry A

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Infrared Spectroscopy of Water and Zundel Cations in Helium Nanodroplets.
The Journal of Physical Chemistry A ( IF 2.7 ) Pub Date : 2020-07-06 , DOI: 10.1021/acs.jpca.0c05897
Deepak Verma ₁ , Swetha Erukala ₁ , Andrey F Vilesov _{1,

2}

Affiliation

Here, we show that electron impact ionization of helium (He) droplets doped with water molecules and clusters yield water and Zundel cations embedded in the droplets consisting of a few thousand helium atoms. Infrared spectra in the OH-stretching range were obtained using the release of the cations from the droplets upon laser excitation. The spectra in He droplets appear to have about a factor of 10 narrower bands and similar matrix shifts as compared to those obtained via tagging with He and Ar atoms. The results confirm the calculated structure of the free Zundel ion, where the proton is equidistant from the two water units. The effect of the He environment on the spectra of ions is discussed. The signal shows nonlinear laser pulse energy dependence consistent with the evaporation of the entire droplet upon multiple absorptions of infrared photons. This conclusion is supported by the model calculations of the efficiency of the cations’ release vs laser flux.

中文翻译：

氦纳米液滴中水和Zundel阳离子的红外光谱。

在这里，我们表明掺杂有水分子和簇的氦（He）液滴的电子碰撞电离产生水和嵌入在由数千个氦原子组成的液滴中的Zundel阳离子。使用在激光激发时从液滴中释放阳离子来获得OH拉伸范围内的红外光谱。与通过用He和Ar原子标记获得的光谱相比，He液滴中的光谱似乎具有约10倍的窄带和相似的矩阵位移。结果证实了自由Zundel离子的计算结构，其中质子与两个水单元等距。讨论了氦气环境对离子光谱的影响。该信号显示出非线性激光脉冲能量依赖性，这与红外光子多次吸收后整个液滴的蒸发一致。阳离子释放效率与激光通量的模型计算支持了这一结论。

更新日期：2020-07-30

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