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学科主题: 物理化学
题名: Electron Affinities of the Early Lanthanide Monoxide Molecules
作者: Chi, Chao-xian2;  Xie, Hua1;  Cong, Ran1;  Tang, Zi-chao1;  Zhou, Ming-fei2
通讯作者: 唐紫超 ;  周鸣飞
关键词: LaO ;  CeO ;  PrO ;  NdO ;  Electron affinity ;  Photoelectron imaging ;  Density functional calculation ;  Ligand field theory
刊名: CHINESE JOURNAL OF CHEMICAL PHYSICS
发表日期: 2011-10-01
DOI: 10.1088/1674-0068/24/05/604-610
卷: 24, 期:5, 页:604-610
收录类别: SCI
文章类型: Article
部门归属: 11
项目归属: 11T2
产权排名: 2,2
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Physics, Atomic, Molecular & Chemical
摘要: Electron Affinities of the Early Lanthanide Monoxide Molecules
研究领域[WOS]: Physics
英文摘要: The photoelectron imagings of LaO(-), CeO(-), PrO(-), and NdO(-) at 1064 nm are reported. The well resolved photoelectron spectra allow the electron affinities 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 delta=2 assumption is still an effective method to analyze the ground states of the neutral and anionic lanthanide monoxides.
关键词[WOS]: RARE-EARTH MONOXIDES ;  VALENCE BASIS-SETS ;  LASER SPECTROSCOPY ;  LIGAND-FIELD ;  CORRELATION-ENERGY ;  SAMARIUM MONOXIDE ;  EMISSION-SPECTRA ;  EXCITED-STATES ;  DENSITY ;  PSEUDOPOTENTIALS
语种: 英语
WOS记录号: WOS:000297139200015
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/115432
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China
2.Fudan Univ, Dept Chem, Shanghai Key Lab Mol Catalysts & Innovat Mat, Shanghai 200433, Peoples R China

Recommended Citation:
Chi, Chao-xian,Xie, Hua,Cong, Ran,et al. Electron Affinities of the Early Lanthanide Monoxide Molecules[J]. CHINESE JOURNAL OF CHEMICAL PHYSICS,2011,24(5):604-610.
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