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题名: Probing the Low-Lying Electronic States of Cyclobutanetetraone (C4O4) and Its Radical Anion: A Low-Temperature Anion Photoelectron Spectroscopic Approach
作者: Guo, Jin-Chang2;  Hou, Gao-Lei1, 3;  Li, Si-Dian2;  Wang, Xue-Bin1
刊名: JOURNAL OF PHYSICAL CHEMISTRY LETTERS
发表日期: 2012-02-02
DOI: 10.1021/jz201593z
卷: 3, 期:3, 页:304-308
收录类别: SCI
文章类型: Article
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
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.
关键词[WOS]: QUADRATIC CONFIGURATION-INTERACTION ;  AROMATIC ANIONS ;  NEGATIVE-ION ;  AFFINITIES ;  DENSITY ;  TRIMETHYLENEMETHANE ;  STABILITY ;  ENERGIES ;  CCSD
语种: 英语
WOS记录号: WOS:000299860200006
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/143079
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.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

Recommended Citation:
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.
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