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, Nigel, Hoffmann, S.V., Jones, N.C., Limão-Vieira, P. and others. (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). ISSN 0021-9606. (doi:10.1063/1.4894762) (KAR id:74697)

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Official URL: https://doi.org/10.1063/1.4894762

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:	Article
DOI/Identification number:	10.1063/1.4894762
Uncontrolled keywords:	Electronic states, Photoelectron spectroscopy, Photoelectrons, Photoionization, Photolysis, Photons, Radiation, Ab initio calculations, Oscillator strengths, Photoabsorption cross sections, Photoabsorption spectra, Photoelectron spectrum, Vacuum ultraviolets, Vertical excitation energy, Vibrational structures, Calculations
Divisions:	Divisions > Division of Natural Sciences > Physics and Astronomy
Depositing User:	Nigel Mason
Date Deposited:	16 Jul 2019 10:10 UTC
Last Modified:	16 Feb 2021 14:05 UTC
Resource URI:	https://kar.kent.ac.uk/id/eprint/74697 (The current URI for this page, for reference purposes)

University of Kent Author Information

Mason, Nigel.

Creator's ORCID:	https://orcid.org/0000-0002-4468-8324
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