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学科主题物理化学
Electron Affinities of the Early Lanthanide Monoxide Molecules
Chi, Chao-xian2; Xie, Hua1; Cong, Ran1; Tang, Zi-chao1; Zhou, Ming-fei2; Tang ZC(唐紫超); Zhou MF(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
2011-10-01
ISSN待补充
DOI10.1088/1674-0068/24/05/604-610
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
研究领域[WOS]Physics
关键词[WOS]RARE-EARTH MONOXIDES ; VALENCE BASIS-SETS ; LASER SPECTROSCOPY ; LIGAND-FIELD ; CORRELATION-ENERGY ; SAMARIUM MONOXIDE ; EMISSION-SPECTRA ; EXCITED-STATES ; DENSITY ; PSEUDOPOTENTIALS
英文摘要Electron Affinities of the Early Lanthanide Monoxide Molecules; 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.
语种英语
WOS记录号WOS:000297139200015
引用统计
被引频次:10[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/115432
专题中国科学院大连化学物理研究所
通讯作者Tang ZC(唐紫超); Zhou MF(周鸣飞)
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
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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.
APA Chi, Chao-xian.,Xie, Hua.,Cong, Ran.,Tang, Zi-chao.,Zhou, Ming-fei.,...&周鸣飞.(2011).Electron Affinities of the Early Lanthanide Monoxide Molecules.CHINESE JOURNAL OF CHEMICAL PHYSICS,24(5),604-610.
MLA Chi, Chao-xian,et al."Electron Affinities of the Early Lanthanide Monoxide Molecules".CHINESE JOURNAL OF CHEMICAL PHYSICS 24.5(2011):604-610.
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