Characterization and Activity of CH3OOH and CH3CH2OOH Study on a Photoelectron Spectroscopy

Yi-Min, Li, Qiao, Sun, Hai-Yang, Li, Mao-Fa, Ge and Dian-Xun, Wang (2005) Characterization and Activity of CH3OOH and CH3CH2OOH Study on a Photoelectron Spectroscopy. Chinese journal of chemistry [electronic resource]., 23 8: 993-996. doi:10.1002/cjoc.200590993


Author Yi-Min, Li
Qiao, Sun
Hai-Yang, Li
Mao-Fa, Ge
Dian-Xun, Wang
Title Characterization and Activity of CH3OOH and CH3CH2OOH Study on a Photoelectron Spectroscopy
Journal name Chinese journal of chemistry [electronic resource].   Check publisher's open access policy
ISSN 1001-604X
Publication date 2005
Sub-type Article (original research)
DOI 10.1002/cjoc.200590993
Volume 23
Issue 8
Start page 993
End page 996
Total pages 7
Place of publication Beijing, China
Publisher Science Press ; New York : Wiley
Language eng
Subject 03 Chemical Sciences
Abstract 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.
Keyword hydroperoxide
photoelectron spectroscopy
quantum calculation
Q-Index Code C1

Document type: Journal Article
Sub-type: Article (original research)
Collections: Excellence in Research Australia (ERA) - Collection
Australian Institute for Bioengineering and Nanotechnology Publications
 
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Created: Thu, 12 Feb 2009, 10:23:36 EST by Ms Lynette Adams on behalf of Aust Institute for Bioengineering & Nanotechnology