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在 90 K 下用 157nm 照射非晶态水时 H2O 和 OH 的平动和内能量的理论和实验研究。

A theoretical and experimental study on translational and internal energies of H2O and OH from the 157 nm irradiation of amorphous solid water at 90 K.

机构信息

SINTEF Materials and Chemistry, P.O. Box 4760, 7465 Trondheim, Norway.

出版信息

Phys Chem Chem Phys. 2011 Sep 21;13(35):15810-20. doi: 10.1039/c1cp21138b. Epub 2011 Aug 9.

Abstract

The photodesorption of H(2)O in its vibrational ground state, and of OH radicals in their ground and first excited vibrational states, following 157 nm photoexcitation of amorphous solid water has been studied using molecular dynamics simulations and detected experimentally by resonance-enhanced multiphoton ionization techniques. There is good agreement between the simulated and measured energy distributions. In addition, signals of H(+) and OH(+) were detected in the experiments. These are inferred to originate from vibrationally excited H(2)O molecules that are ejected from the surface by two distinct mechanisms: a direct desorption mechanism and desorption induced by secondary recombination of photoproducts at the ice surface. This is the first reported experimental evidence of photodesorption of vibrationally excited H(2)O molecules from water ice.

摘要

采用分子动力学模拟研究了 157nm 光激发非晶态水后,处于振动基态的 H(2)O 和处于基态及第一激发振动态的 OH 自由基的光解。实验中通过共振增强多光子电离技术进行探测,模拟与测量的能量分布吻合良好。此外,实验中还检测到了 H(+)和 OH(+)的信号。这些信号被推断来自于通过两种不同机制从表面被逐出的振动激发的 H(2)O 分子:直接解吸机制和冰表面光产物二次复合诱导的解吸。这是首例报道的从水冰中光解出振动激发的 H(2)O 分子的实验证据。

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