Electronic state spectroscopy by high-resolution vacuum ultraviolet photoabsorption, He(I) photoelectron spectroscopy and ab initio calculations of ethyl acetate*
1 Department of Control and Power
Engineering, Faculty of Ocean Engineering and Ship Technology, Gdańsk University of
Technology, Gabriela Narutowicza
2 Department of Physical Sciences, The Open University, Walton Hall, Milton Keynes MK7 6AA, UK
3 Department of Theoretical Physics and Quantum Information, Faculty of Applied Physics and Mathematics, Gdańsk University of Technology, Gabriela Narutowicza 11/12, 80-233 Gdańsk, Poland
4 Département de Chimie, Université de Liège, Institut de Chimie, Bât. B6C, 4000 Liège, Belgium
5 ISA, Department of Physics and Astronomy, Aarhus University, Ny Munkegade, Building 1520, 8000 Aarhus C, Denmark
6 Laboratório de Colisões Atómicas e Moleculares, CEFITEC, Departamento de Física, Faculdade de Ciências e Tecnologia, Universidade NOVA de Lisboa, 2829-516 Caparica, Portugal
Received in final form: 4 May 2016
Published online: 16 June 2016
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 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. Also, the photoabsorption cross sections have been used to calculate the photolysis lifetime of this ester in the upper stratosphere (20−50 km). Calculations have also been carried out to determine the ionisation energies and fine structure of the lowest ionic state of ethyl acetate and are compared with a newly recorded photoelectron spectrum (from 9.5 to 16.7 eV). Vibrational structure is observed in the first photoelectron band of this molecule for the first time.
© The Author(s) 2016. This article is published with open access at Springerlink.com
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