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Isobutyl acetate: electronic state spectroscopy by high-resolution vacuum ultraviolet photoabsorption, He(I) photoelectron spectroscopy and ab initio calculations

Smialek, Malgorzata A.; Łabuda, Marta; Hubin-Franskin, Marie-Jeanne; Delwiche, Jacques; Hoffmann, Søren Vrønning; Jones, Nykola C.; Mason, Nigel J. and Limão-Vieira, Paulo (2017). Isobutyl acetate: electronic state spectroscopy by high-resolution vacuum ultraviolet photoabsorption, He(I) photoelectron spectroscopy and ab initio calculations. The European Physical Journal D, 71(5), article no. 129.

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DOI (Digital Object Identifier) Link: https://doi.org/10.1140/epjd/e2017-80071-4
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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.

Item Type: Journal Item
Copyright Holders: 2017 The Authors
ISSN: 1434-6079
Project Funding Details:
Funded Project NameProject IDFunding Body
Not SetNot SetThe Open University (OU)
ELISA226716European Union
Access to Research Infrastructure action of the Improving Human Potential ProgrammeNot SetEuropean Commission
Academic Unit/School: Faculty of Science, Technology, Engineering and Mathematics (STEM) > Physical Sciences
Faculty of Science, Technology, Engineering and Mathematics (STEM)
Item ID: 55246
SWORD Depositor: Jisc Publications-Router
Depositing User: Jisc Publications-Router
Date Deposited: 01 Jun 2018 09:16
Last Modified: 03 May 2019 12:49
URI: http://oro.open.ac.uk/id/eprint/55246
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