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

Śmiałek, M.A., Łabuda, M., Hubin-Franskin, M.-J., Delwiche, J., Hoffmann, S.V., Jones, N.C., Mason, Nigel, Limão-Vieira, P. (2017) Isobutyl acetate: electronic state spectroscopy by high-resolution vacuum ultraviolet photoabsorption, He(I) photoelectron spectroscopy and ab initio calculations. European Physical Journal D, 71 (5). ISSN 1434-6060. (doi:10.1140/epjd/e2017-80071-4) (KAR id:74650)

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https://doi.org/10.1140/epjd/e2017-80071-4

Abstract

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: Article
DOI/Identification number: 10.1140/epjd/e2017-80071-4
Divisions: Faculties > Sciences > School of Physical Sciences
Depositing User: Nigel Mason
Date Deposited: 02 Jul 2019 12:53 UTC
Last Modified: 02 Jul 2019 12:53 UTC
Resource URI: https://kar.kent.ac.uk/id/eprint/74650 (The current URI for this page, for reference purposes)
Mason, Nigel: https://orcid.org/0000-0002-4468-8324
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