Probing the Low-Lying Electronic States of Cyclobutanetetraone (C4O4) and Its Radical Anion: A Low-Temperature Anion Photoelectron Spectroscopic Approach
文献类型：期刊论文
| 作者 | Guo, Jin-Chang2; Hou, Gao-Lei1,3; Li, Si-Dian2; Wang, Xue-Bin1 |
| 刊名 | journal of physical chemistry letters
 |
| 出版日期 | 2012-02-02 |
| 卷号 | 3期号:3页码:304-308 |
| 英文摘要 | despite a seemingly simple appearance, cyclobutanetetraone (c4o4) has four low-lying electronic states. determining the theoretically has been proven to be considerably challenging and remains energetic ordering of these states and the ground state of c4o4- largely unresolved to date. here, we report a low-temperature negative ion photoelectron spectroscopic approach. well-resolved spectra were obtained at both 193 and 266 nm. combined with recent theoretical studies and our own franck-condon factors simulations, the ground state of c4o4- and the ground and two low-lying excited states of c4o4 are determined to be (2)a(2u), b-3(2u), (1)a(1g) (8 pi), and b-1(2u), respectively. the frequency of the ring breathing mode (1810 +/- 20 cm(-1)), the electron affinity (3.475 +/- 0.005 ev), and the term values of (1)a(1g) (8 pi) (6.27 +/- 0.5 kj/mol) and b-1(2u) (13.50 +/- 0.5 kj/mol) are also directly obtained from the experiments. |
| WOS标题词 | science & technology ; physical sciences ; technology |
| 类目[WOS] | chemistry, physical ; nanoscience & nanotechnology ; materials science, multidisciplinary ; physics, atomic, molecular & chemical |
| 研究领域[WOS] | chemistry ; science & technology - other topics ; materials science ; physics |
| 关键词[WOS] | quadratic configuration-interaction ; aromatic anions ; negative-ion ; affinities ; density ; trimethylenemethane ; stability ; energies ; ccsd |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000299860200006 |
| 公开日期 | 2015-11-17 |
| 源URL | [http://159.226.238.44/handle/321008/143079]  |
| 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.Shanxi Univ, Inst Mol Sci, Taiyuan 030006, Peoples R China 2.Pacific NW Natl Lab, Div Chem & Mat Sci, Richland, WA 99352 USA 3.Chinese Acad Sci, State Key Lab Mol React Dynam, Inst Chem, Beijing 100190, Peoples R China |
| 推荐引用方式 GB/T 7714 | Guo, Jin-Chang,Hou, Gao-Lei,Li, Si-Dian,et al. Probing the Low-Lying Electronic States of Cyclobutanetetraone (C4O4) and Its Radical Anion: A Low-Temperature Anion Photoelectron Spectroscopic Approach[J]. journal of physical chemistry letters,2012,3(3):304-308. |
| APA | Guo, Jin-Chang,Hou, Gao-Lei,Li, Si-Dian,&Wang, Xue-Bin.(2012).Probing the Low-Lying Electronic States of Cyclobutanetetraone (C4O4) and Its Radical Anion: A Low-Temperature Anion Photoelectron Spectroscopic Approach.journal of physical chemistry letters,3(3),304-308. |
| MLA | Guo, Jin-Chang,et al."Probing the Low-Lying Electronic States of Cyclobutanetetraone (C4O4) and Its Radical Anion: A Low-Temperature Anion Photoelectron Spectroscopic Approach".journal of physical chemistry letters 3.3(2012):304-308. |
入库方式： OAI收割
来源：大连化学物理研究所
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