Electron Affinities of the Early Lanthanide Monoxide Molecules |
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| Authors: | Chao-xian Chi Hua Xie Ran Cong Zi-chao Tang Ming-fei Zhou |
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| Affiliation: | 1.Department of Chemistry, Shanghai Key Laboratory of Molecular Catalysts and Innovative Materials, Fudan University, Shanghai 200433, China2.State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China |
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| Abstract: | The photoelectron imagings of LaO-, CeO-, PrO-, and NdO- at 1064 nm are reported. The well resolved photoelectron spectra allow the electron a±nities to be determined as 0.99(1) eV for LaO, 1.00(1) eV for CeO, 1.00(1) eV for PrO, and 1.01(1) eV for NdO, respectively. Density functional calculations and natural atomic orbital analyses show that the 4f electrons tend to be localized and suffer little from the charge states of the molecules. The photodetached electron mainly originates from the 6s orbital of the metals. The ligand field theory with the δ=2 assumption is still an effective method to analyze the ground states of the neutral and anionic lanthanide monoxides. |
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| Keywords: | LaO CeO PrO NdO Electron affinity Photoelectron imaging Density func-tional calculation Ligand field theory |
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