Electron Affinities of the Early Lanthanide Monoxide Molecules
文献类型：期刊论文
| 作者 | Chi, Chao-xian2; Xie, Hua1; Cong, Ran1; Tang, Zi-chao1; Zhou, Ming-fei2 |
| 刊名 | chinese journal of chemical physics
 |
| 出版日期 | 2011-10-01 |
| 卷号 | 24期号:5页码:604-610 |
| 关键词 | LaO CeO PrO NdO Electron affinity Photoelectron imaging Density functional calculation Ligand field theory |
| ISSN号 | 待补充 |
| 产权排序 | 2,2 |
| 通讯作者 | 唐紫超 ; 周鸣飞 |
| 中文摘要 | electron affinities of the early lanthanide monoxide molecules |
| 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. |
| WOS标题词 | science & technology ; physical sciences |
| 学科主题 | 物理化学 |
| 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 |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000297139200015 |
| 公开日期 | 2012-07-09 |
| 源URL | [http://159.226.238.44/handle/321008/115432]  |
| 专题 | 大连化学物理研究所_中国科学院大连化学物理研究所 |
| 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 |
| 推荐引用方式 GB/T 7714 | 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.(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. |
入库方式： OAI收割
来源：大连化学物理研究所
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