A HeI photoelectron spectroscopic study of polyunsaturated fatty acids |
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| Affiliation: | 1. Mass Spectrometry in Reactive Flows – Thermodynamics, IVG, University of Duisburg-Essen, D-47048 Duisburg, Germany;2. Molecular Dynamics Group, Paul Scherrer Institute, 5232 Villigen PSI, Switzerlandn;3. Institute of Combustion Technology, German Aerospace Center (DLR), Pfaffenwaldring 38-40, D-70569 Stuttgart, Germany;1. Center for Combustion Energy, Tsinghua University, Beijing 100084, China;2. Key Laboratory for Thermal Science and Power Engineering of the Ministry of Education, Tsinghua University, Beijing 100084, China;3. Department of Aerospace Engineering, Beijing Institute of Technology, Beijing 100081, China;4. Department of Mechatronical Engineering, Beijing Institute of Technology, Beijing 100081, China;5. Department of Chemical Engineering and Biotechnology, University of Cambridge, West Site, Philippa Fawcett Drive, Cambridge, CB3 0AS, United Kingdom;6. Nanyang Technological University, School of Chemical and Biomedical Engineering, 62 Nanyang Drive, 637459, Singapore;7. Cambridge Center for Advanced Research and Education in Singapore (CARES), CREATE Tower, 1 Create Way, 138602, Singapore |
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| Abstract: | HeI photoelectron spectra of some unsaturated fatty acids except of docosahexaenoic acid have been observed in the gas phase for the first time, by using an infrared heating device that was developed in this laboratory. The first vertical ionization energies (Iobs) of oleic acid, linoleic acid, linolenic acid, and docosahexaenoic acid have been determined to be 8.85, 8.80, 8.77, and 8.75 eV, respectively. Several higher ionization energies have also been observed. The valence electronic structures associated with the observed ionization energies and the optimum geometries have been elucidated by ab initio calculations carried out in the present study. |
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