Photoelectron spectroscopy and density functional calculations of FenBO2- clusters
文献类型：期刊论文
| 作者 | Feng, Yuan; Xu, Hong-Guang; Zhang, Zeng-Guang; Gao, Zhen; Zheng, Weijun |
| 刊名 | journal of chemical physics
 |
| 出版日期 | 2010-02-21 |
| 卷号 | 132期号:7 |
| 关键词 | density functional theory iron compounds mass spectra molecular clusters negative ions photoelectron spectra |
| 英文摘要 | we conducted a study of fenbo2- clusters by mass spectrometry and photoelectron spectroscopy. the vertical detachment energies and adiabatic detachment energies of these clusters were evaluated from their photoelectron spectra. we have also performed density-functional calculations of fenbo2- (n=1-5) clusters and determined their structures by comparison of theoretical calculations to experimental results. the studies show that bo2 moiety still maintains its linear structure as the bare bo2 cluster. bo2 behaves as a superhalogen. analysis of molecular orbitals reveals that the highest occupied molecular orbitals of fenbo2- clusters are mainly localized on the fe-n units. |
| 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] | laser-excited fluorescence ; boron-oxide clusters ; solid argon ; dye-laser ; ionization-potentials ; electronic-structures ; fine-structure ; iron clusters ; bo2 ; fe |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000274756000021 |
| 公开日期 | 2015-11-17 |
| 源URL | [http://159.226.238.44/handle/321008/142254]  |
| 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 | Chinese Acad Sci, Inst Chem, Beijing Natl Lab Mol Sci, State Key Lab Mol React Dynam, Beijing 100190, Peoples R China |
| 推荐引用方式 GB/T 7714 | Feng, Yuan,Xu, Hong-Guang,Zhang, Zeng-Guang,et al. Photoelectron spectroscopy and density functional calculations of FenBO2- clusters[J]. journal of chemical physics,2010,132(7). |
| APA | Feng, Yuan,Xu, Hong-Guang,Zhang, Zeng-Guang,Gao, Zhen,&Zheng, Weijun.(2010).Photoelectron spectroscopy and density functional calculations of FenBO2- clusters.journal of chemical physics,132(7). |
| MLA | Feng, Yuan,et al."Photoelectron spectroscopy and density functional calculations of FenBO2- clusters".journal of chemical physics 132.7(2010). |
入库方式： OAI收割
来源：大连化学物理研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。