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Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
Published on: April 8, 2020
The photoelectron angular distribution of water clusters.
Chaofan Zhang1, Tomas Andersson, Marko Förstel
1Department of Physics and Astronomy, Uppsala University, Box 516, 751 20 Uppsala, Sweden.
The Journal of Chemical Physics
|June 28, 2013
Summary
Photoelectron angular distributions from water clusters are more isotropic than from isolated molecules. Scattering models explain some differences, but intrinsic changes in water clusters may also occur.
Area of Science:
- Physical Chemistry
- Atomic and Molecular Physics
- Surface Science
Background:
- Understanding the electronic structure and dynamics of water clusters is crucial for various chemical and physical processes.
- Photoelectron spectroscopy is a powerful technique for probing the electronic states of molecules and clusters.
- The behavior of water in condensed phases differs significantly from that of isolated molecules.
Purpose of the Study:
- To investigate the angular distribution of photoelectrons emitted from water clusters.
- To compare the electronic behavior of water clusters with isolated water molecules.
- To explore the influence of intermolecular interactions on photoelectron emission patterns.
Main Methods:
- Photoelectron spectroscopy using linearly polarized synchrotron radiation.
- Photon energies of 40 and 60 eV were employed.
- The angular distribution was mapped by rotating the polarization axis of the synchrotron radiation.
Main Results:
- The photoelectron emission patterns from water clusters were found to be more isotropic than those from isolated water molecules.
- Results were obtained for the three outermost valence orbitals of water clusters.
- A simple scattering model could account for most of the observed deviation from molecular behavior.
Conclusions:
- Intermolecular interactions in water clusters lead to more isotropic photoelectron emission compared to isolated molecules.
- While scattering effects play a role, intrinsic changes in the angular distribution parameter within water clusters are also suggested by the data.
- This study provides insights into the electronic structure and dynamics of water clusters, highlighting differences from isolated molecules.
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