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Electronic state spectroscopy by high-resolution vacuum ultraviolet photoabsorption, He(I) photoelectron spectroscopy and ab initio calculations of ethyl acetate
Abstract
The high-resolution vacuum ultraviolet photoabsorption spectrum of ethyl acetate, C4H8O2, is presented over the energy range 4.5−10.7 eV (275.5−116.0 nm). Valence and Rydberg transitions and their associated vibronic series observed in the photoabsorption spectrum, have been assigned in accordance with new ab initio calculations of the vertical excitation energies and oscillator strengths. Also, the photoabsorption cross sections have been used to calculate the photolysis lifetime of this ester in the upper stratosphere (20−50 km). Calculations have also been carried out to determine the ionisation energies and fine structure of the lowest ionic state of ethyl acetate and are compared with a newly recorded photoelectron spectrum (from 9.5 to 16.7 eV). Vibrational structure is observed in the first photoelectron band of this molecule for the first time.
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Authors (9)
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Marie-Jeanne Hubin-Franskin
- Universit´e de Li`ege, D´epartement de Chimie
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Jacques Delwiche
- Universit´e de Li`ege, D´epartement de Chimie
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Søren Hoffmann
- Aarhus University ISA, Department of Physics and Astronomy
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Nykola C. Jones
- Aarhus University ISA, Department of Physics and Astronomy
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Nigel J. Mason
- The Open University Department of Physical Sciences
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P. Limao-Vieira
- Universidade NOVA de Lisboa Departamento de F´ısica,
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- Publication version
- Accepted or Published Version
- DOI:
- Digital Object Identifier (open in new tab) 10.1140/epjd/e2016-70239-9
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Details
- Category:
- Articles
- Type:
- artykuł w czasopiśmie wyróżnionym w JCR
- Published in:
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EUROPEAN PHYSICAL JOURNAL D
no. 70,
pages 1 - 9,
ISSN: 1434-6060 - Language:
- English
- Publication year:
- 2016
- Bibliographic description:
- Śmiałek-Telega M., Łabuda M., Guthmuller J., Hubin-Franskin M., Delwiche J., Hoffmann S., Jones N., Mason N., Limao-Vieira P.: Electronic state spectroscopy by high-resolution vacuum ultraviolet photoabsorption, He(I) photoelectron spectroscopy and ab initio calculations of ethyl acetate// EUROPEAN PHYSICAL JOURNAL D. -Vol. 70, (2016), s.1-9
- DOI:
- Digital Object Identifier (open in new tab) 10.1140/epjd/e2016-70239-9
- Verified by:
- Gdańsk University of Technology
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