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Temperature evolution in IR action spectroscopy experiments with sodium doped water clusters
Physical Chemistry Chemical Physics ( IF 3.3 ) Pub Date : 2020-12-16 , DOI: 10.1039/d0cp05390b Daniel Becker 1, 2, 3, 4 , Christoph W. Dierking 1, 2, 3, 4 , Jiří Suchan 5, 6, 7, 8 , Florian Zurheide 1, 2, 3, 4 , Jozef Lengyel 4, 9, 10, 11 , Michal Fárník 8, 12, 13, 14 , Petr Slavíček 5, 6, 7, 8 , Udo Buck 4, 15, 16 , Thomas Zeuch 1, 2, 3, 4
Physical Chemistry Chemical Physics ( IF 3.3 ) Pub Date : 2020-12-16 , DOI: 10.1039/d0cp05390b Daniel Becker 1, 2, 3, 4 , Christoph W. Dierking 1, 2, 3, 4 , Jiří Suchan 5, 6, 7, 8 , Florian Zurheide 1, 2, 3, 4 , Jozef Lengyel 4, 9, 10, 11 , Michal Fárník 8, 12, 13, 14 , Petr Slavíček 5, 6, 7, 8 , Udo Buck 4, 15, 16 , Thomas Zeuch 1, 2, 3, 4
Affiliation
The combination of supersonic expansions with IR action spectroscopy techniques is the basis of many successful approaches to study cluster structure and dynamics. The effects of temperature and temperature evolution are important with regard to both the cluster synthesis and the cluster dynamics upon IR excitation. In the past the combination of the sodium doping technique with IR excitation enhanced near threshold photoionization has been successfully applied to study neutral, especially water clusters. In this work we follow an overall examination approach for inspecting the interplay of cluster temperature and cluster structure in the initial cooling process and in the IR excitation induced heating of the clusters. In molecular simulations, we study the temperature dependent photoionization spectra of the sodium doped clusters and the evaporative cooling process by water molecule ejection at the cluster surface. We present a comprehensive analysis that provides constraints for the temperature evolution from the nozzle to cluster detection in the mass spectrometer. We attribute the IR action effect to the strong temperature dependence of sodium solvation in the IR excited clusters and we discuss the effects of geometry changes during the IR multi-photon absorption process with regard to application prospects of the method.
中文翻译:
钠掺杂水团的红外作用光谱实验中的温度演变
超音速膨胀与红外作用光谱技术的结合是研究团簇结构和动力学的许多成功方法的基础。温度和温度演化的影响对于红外激发下的团簇合成和团簇动力学而言都是重要的。过去,钠掺杂技术与IR激发增强的接近阈值光电离的结合已成功地用于研究中性粒子,尤其是水团簇。在这项工作中,我们遵循一种整体检查方法,以检查团簇温度和团簇结构在初始冷却过程中以及在红外激发引起的团簇加热中的相互作用。在分子模拟中 我们研究了钠掺杂团簇的温度依赖性光电离光谱以及在团簇表面通过水分子喷射的蒸发冷却过程。我们提出了一个综合分析,为从喷嘴到质谱仪中从喷嘴到簇检测的温度演变提供了限制。我们将红外作用效应归因于红外激发簇中钠溶剂化的强烈温度依赖性,并就该方法的应用前景讨论了红外多光子吸收过程中几何形状变化的影响。
更新日期:2021-01-26
中文翻译:
钠掺杂水团的红外作用光谱实验中的温度演变
超音速膨胀与红外作用光谱技术的结合是研究团簇结构和动力学的许多成功方法的基础。温度和温度演化的影响对于红外激发下的团簇合成和团簇动力学而言都是重要的。过去,钠掺杂技术与IR激发增强的接近阈值光电离的结合已成功地用于研究中性粒子,尤其是水团簇。在这项工作中,我们遵循一种整体检查方法,以检查团簇温度和团簇结构在初始冷却过程中以及在红外激发引起的团簇加热中的相互作用。在分子模拟中 我们研究了钠掺杂团簇的温度依赖性光电离光谱以及在团簇表面通过水分子喷射的蒸发冷却过程。我们提出了一个综合分析,为从喷嘴到质谱仪中从喷嘴到簇检测的温度演变提供了限制。我们将红外作用效应归因于红外激发簇中钠溶剂化的强烈温度依赖性,并就该方法的应用前景讨论了红外多光子吸收过程中几何形状变化的影响。