Chao-xian Chi, Hua Xie, Ran Cong, Zi-chao Tang, Ming-fei Zhou. Electron Affinities of the Early Lanthanide Monoxide Molecules[J]. Chinese Journal of Chemical Physics , 2011, 24(5): 604-610. doi: 10.1088/1674-0068/24/05/604-610
Citation: Chao-xian Chi, Hua Xie, Ran Cong, Zi-chao Tang, Ming-fei Zhou. Electron Affinities of the Early Lanthanide Monoxide Molecules[J]. Chinese Journal of Chemical Physics , 2011, 24(5): 604-610. doi: 10.1088/1674-0068/24/05/604-610

Electron Affinities of the Early Lanthanide Monoxide Molecules

doi: 10.1088/1674-0068/24/05/604-610
Funds:  This work was supported by the National Nat-ural Science Foundation of China (No.20933003) and the National Basic Research Program of China (No.2010CB732306).
  • Received Date: 2011-09-27
  • 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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Electron Affinities of the Early Lanthanide Monoxide Molecules

doi: 10.1088/1674-0068/24/05/604-610
Funds:  This work was supported by the National Nat-ural Science Foundation of China (No.20933003) and the National Basic Research Program of China (No.2010CB732306).

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.

Chao-xian Chi, Hua Xie, Ran Cong, Zi-chao Tang, Ming-fei Zhou. Electron Affinities of the Early Lanthanide Monoxide Molecules[J]. Chinese Journal of Chemical Physics , 2011, 24(5): 604-610. doi: 10.1088/1674-0068/24/05/604-610
Citation: Chao-xian Chi, Hua Xie, Ran Cong, Zi-chao Tang, Ming-fei Zhou. Electron Affinities of the Early Lanthanide Monoxide Molecules[J]. Chinese Journal of Chemical Physics , 2011, 24(5): 604-610. doi: 10.1088/1674-0068/24/05/604-610

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