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Isobutyl acetate: electronic state spectroscopy by high-resolution vacuum ultraviolet photoabsorption, He(I) photoelectron spectroscopy and ab initio calculations
Abstract
The high-resolution vacuum ultraviolet photoabsorption spectrum of isobutyl acetate, C6H12O2, is presented here and was measured over the energy range 4.3–10.8 eV (290–115 nm). Valence and Rydberg transitions with their associated vibronic series have been observed in the photoabsorption spectrum and are assigned in accordance with new ab initio calculations of the vertical excitation energies and oscillator strengths. The measured photoabsorption cross sections have been used to calculate the photolysis lifetime of this ester in the Earth’s upper atmosphere (20–50 km). Calculations have also been carried out to determine the ionization energies and fine structure of the lowest ionic state of isobutyl acetate and are compared with a photoelectron spectrum (from 9.5 to 16.7 eV), recorded for the first time. Vibrational structure is observed in the first photoelectron band of this molecule.
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Authors (8)
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Marie-Jeanne Hubin-Franskin
- Universit´e de Liege Departement de Chimie
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Jacques Delwiche
- Universite de Liege Departement de Chimie
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Søren Hoffmann
- Aarhus University Department of Physics and Astronomy
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Nykola C. Jones
- Aarhus University Department of Physics and Astronomy
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Nigel J. Mason
- The Open University School of Physical Sciences
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Paulo Limão-Vieira
- Universidade NOVA de Lisboa Departamento de Fısica
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Full text
- Publication version
- Accepted or Published Version
- DOI:
- Digital Object Identifier (open in new tab) 10.1140/epjd/e2017-80071-4
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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. 71,
pages 129 - 129,
ISSN: 1434-6060 - Language:
- English
- Publication year:
- 2017
- Bibliographic description:
- Śmiałek-Telega M., Łabuda M., Hubin-Franskin M., Delwiche J., Hoffmann S., Jones N., Mason N., Limão-Vieira P.: Isobutyl acetate: electronic state spectroscopy by high-resolution vacuum ultraviolet photoabsorption, He(I) photoelectron spectroscopy and ab initio calculations// EUROPEAN PHYSICAL JOURNAL D. -Vol. 71, (2017), s.129-129
- DOI:
- Digital Object Identifier (open in new tab) 10.1140/epjd/e2017-80071-4
- Verified by:
- Gdańsk University of Technology
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