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Photoelectron Imaging Spectroscopy of ZrO- Diatomic Anion |
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| Authors: | Qing-yu Liu Lian-rui Hu Hui Chen Sheng-gui He |
| Institution: | 1.Beijing National Laboratory for Molecular Sciences, State Key Laboratory for Structural Chemistry of Unstable and Stable Species, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, China2.Beijing National Laboratory for Molecular Sciences, Key Laboratory of Photochemistry, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, China |
| Abstract: | The diatomic ZrO- anion has been prepared by laser ablation and studied by photoelectron imaging spectroscopy combined with quantum chemistry calculations. The observed photoelectron spectra can be well assigned on the basis of reported optical spectroscopy and high-level ab initio calculations. The ground state of ZrO- is a 2△ state with spin-orbit splitting of 578±12 cm-. The electron affinity of ZrO is 1.249±0.005 eV. For the first time, the c3Σ- state of ZrO has been experimentally observed at 13316±24 cm- with respect to the X1∑+ ground state. A comparison between ZrO and the isoelectronic molecule NbN has been made. |
| Keywords: | Diatomic molecules Electronic structure Spin-orbit splitting Photoelectron imaging spectroscopy ab initio calculations |
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