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Electronic state spectroscopy by high-resolution vacuum ultraviolet photoabsorption, He(I) photoelectron spectroscopy and ab initio calculations of ethyl acetate

Śmialek, M.A., Łabuda, M., Guthmuller, J., Hubin-Franskin, M.-J., Delwiche, J., Hoffmann, S.V., Jones, N.C., Mason, Nigel, Limão-Vieira, P. (2016) Electronic state spectroscopy by high-resolution vacuum ultraviolet photoabsorption, He(I) photoelectron spectroscopy and ab initio calculations of ethyl acetate. European Physical Journal D, 70 (6). ISSN 1434-6060. (doi:10.1140/epjd/e2016-70239-9) (KAR id:74664)

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https://doi.org/10.1140/epjd/e2016-70239-9

Abstract

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 transitionsand their associated vibronic series observed in the photoabsorption spectrum, have beenassigned in accordance with new ab initio calculations of the vertical excitation energiesand oscillator strengths. Also, the photoabsorption cross sections have been used tocalculate the photolysis lifetime of this ester in the upper stratosphere(20−50 km). Calculationshave also been carried out to determine the ionisation energies and fine structure of thelowest ionic state of ethyl acetate and are compared with a newly recorded photoelectronspectrum (from 9.5 to 16.7 eV). Vibrational structure is observed in the firstphotoelectron band of this molecule for the first time.

Item Type: Article
DOI/Identification number: 10.1140/epjd/e2016-70239-9
Divisions: Faculties > Sciences > School of Physical Sciences
Depositing User: Nigel Mason
Date Deposited: 03 Jul 2019 09:00 UTC
Last Modified: 03 Jul 2019 09:00 UTC
Resource URI: https://kar.kent.ac.uk/id/eprint/74664 (The current URI for this page, for reference purposes)
Mason, Nigel: https://orcid.org/0000-0002-4468-8324
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