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Characterization and activity of CH3OOH and CH3CH2OOH - Study on a photoelectron spectroscopy
Li, YM; Sun, Q; Li, HY; Ge, MF; Wang, DX
关键词Hydroperoxide Photoelectron Spectroscopy Quantum Calculation
刊名CHINESE JOURNAL OF CHEMISTRY
2005-08-01
23期:8页:993-996
收录类别SCI
文章类型Article
WOS标题词Science & Technology ; Physical Sciences
类目[WOS]Chemistry, Multidisciplinary
研究领域[WOS]Chemistry
关键词[WOS]DIFFERENT IONIC STATES ; ELECTRONIC-STRUCTURE ; HYDROXYMETHYL HYDROPEROXIDE ; HYDROGEN-PEROXIDE ; CHEMISTRY ; HYDROCARBONS ; TROPOSPHERE ; RADICALS ; SPECTRUM ; IMPACT
英文摘要The ionization energies of MHP (CH3OOH) and EHP (CH3CH2OOH) have been determined by HeI photoelectron spectroscopy (PES) measurement and both Gaussian-2 (G2) calculation and Hartree-Fock (HF) method on the basis of Koopmans theorem at 6-311 + G* basis set level for the first time. The assignment and characterization of PE spectra of MHP and EHP were also supported by the G2 and HF calculations. The first ionization energies of MHP and EHP are 9.87 and 9.65 eV, respectively. Higher solubility of EHP in the atmosphere was attributed to their lower ionization energy values.
语种英语
WOS记录号WOS:000232194400009
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文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/139703
专题中国科学院大连化学物理研究所
作者单位1.Chinese Acad Sci, Inst Chem, Ctr Mol Sci, Beijing 100080, Peoples R China
2.Chinese Acad Sci, Anhui Inst Opt & Fine Mech, Hefei 230031, Peoples R China
3.Shaoxing Coll Arts & Sci, Dept Chem, Zhejiang 312000, Peoples R China
4.Chinese Acad Sci, Dalian Inst Chem Phys, Dalian 116023, Peoples R China
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GB/T 7714
Li, YM,Sun, Q,Li, HY,et al. Characterization and activity of CH3OOH and CH3CH2OOH - Study on a photoelectron spectroscopy[J]. CHINESE JOURNAL OF CHEMISTRY,2005,23(8):993-996.
APA Li, YM,Sun, Q,Li, HY,Ge, MF,&Wang, DX.(2005).Characterization and activity of CH3OOH and CH3CH2OOH - Study on a photoelectron spectroscopy.CHINESE JOURNAL OF CHEMISTRY,23(8),993-996.
MLA Li, YM,et al."Characterization and activity of CH3OOH and CH3CH2OOH - Study on a photoelectron spectroscopy".CHINESE JOURNAL OF CHEMISTRY 23.8(2005):993-996.
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