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Valence and ionic lowest-lying electronic states of ethyl formate as studied by high-resolution vacuum ultraviolet photoabsorption, He(I) photoelectron spectroscopy, and ab initio calculations

Śmiałek, M. A.; Łabuda, M.; Guthmuller, J.; Hubin-Franskin, M.-J.; Delwiche, J.; Duflot, D.; Mason, N. J.; Hoffmann, S. V.; Jones, N. C. and Limão-Vieira, P. (2014). Valence and ionic lowest-lying electronic states of ethyl formate as studied by high-resolution vacuum ultraviolet photoabsorption, He(I) photoelectron spectroscopy, and ab initio calculations. Journal of Chemical Physics, 141(10) p. 104311.

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DOI (Digital Object Identifier) Link: https://doi.org/10.1063/1.4894762
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Abstract

The highest resolution vacuum ultraviolet photoabsorption spectrum of ethyl formate, C2H5OCHO, yet reported is presented over the wavelength range 115.0–275.5 nm (10.75–4.5 eV) revealing several new spectral features. 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. Calculations have also been carried out to determine the ionization energies and fine structure of the lowest ionic state of ethyl formate and are compared with a newly recorded He(I) photoelectron spectrum (from 10.1 to 16.1 eV). New vibrational structure is observed in the first photoelectron band. The photoabsorption cross sections have been used to calculate the photolysis lifetime of ethyl formate in the upper stratosphere (20–50 km).

Item Type: Journal Item
Copyright Holders: 2014 AIP Publishing LLC
ISSN: 1089-7690
Keywords: Rydberg states; photoabsorption; photoelectron spectra; photodissociation; oscillators
Academic Unit/School: Faculty of Science, Technology, Engineering and Mathematics (STEM) > Physical Sciences
Faculty of Science, Technology, Engineering and Mathematics (STEM)
Research Group: Physics
Item ID: 40888
Depositing User: Astrid Peterkin
Date Deposited: 10 Nov 2014 09:15
Last Modified: 08 Dec 2018 06:09
URI: http://oro.open.ac.uk/id/eprint/40888
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