通过电子吸收光谱检测水阳离子 (H2O) n-,n ≤200中的水合电子的结构演变
Andreas Herburger1, Erik Barwa1, Milan Ončák1
1Institut für Ionenphysik und Angewandte Physik , Universität Innsbruck , Technikerstraße 25 , 6020 Innsbruck , Austria.
Journal of the American Chemical Society
|October 26, 2019
概括
研究人员研究了水离子 (H2O) n-以了解水合电子的行为. 他们发现对于较大的集群, 电子结合转移, 模仿接近接口的大量水合电子.
科学领域:
- 物理化学
- 光谱学
- 计算化学
背景情况:
- 在水化学中,水合电子至关重要.
- 了解水团中的电子结合,可以了解体质的特性.
研究的目的:
- 研究水离子 (H2O) 的电子吸收光谱,n-至n=200.
- 将集群数据与散装水合电子属性进行比较.
- 确定集群大小和结构对电子结合的作用.
主要方法:
- 在80K的光解离谱.
- 与文献模拟和实验数据进行比较.
主要成果:
- 对20 ≤ n ≤ 40的两个同能电子结合动机 (表面和部分嵌入) 进行观察.
- 表面异构体数量随大小而减少;对于n ≥50,部分嵌入异构体占主导地位.
- 吸收光谱显示蓝色转移,平稳在n ≈100左右.
- 镜像类似于大量的水合电子,但略有红移.
结论:
- 水离子作为水合电子的有价值模型.
- 在较大的集群中偏偏嵌入异构体.
- 这些集群有效地模拟液真空接口附近的水合电子.
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