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

Śmiałek, M. A.; Hubin-Franskin, M.-J.; Delwiche, J.; Duflot, D.; Mason, N.; Vrønning-Hoffmann, S.; de Souza, G. G. B.; Ferreira Rodrigues, A. M.; Rodrigues, F. N. and Limão-Vieira, P. (2012). Limonene: electronic state spectroscopy by high-resolution vacuum ultraviolet photoabsorption, electron scattering, He(I) photoelectron spectroscopy and ab initio calculations. Physical Chemistry Chemical Physics, 14(6) pp. 2056–2064.

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DOI (Digital Object Identifier) Link: http://dx.doi.org/10.1039/c2cp22847e
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Abstract

Electronic state spectroscopy of limonene has been investigated using vacuum ultraviolet photoabsorption spectroscopy in the energy range 5.0–10.8 eV. The availability of a high resolution photon beam (~0.075 nm) enabled detailed analysis of the vibrational progressions and allowed us to propose, for the first time, new assignments for several Rydberg series. Excited states located in the 7.5–8.4 eV region have been studied for the first time. A He(I) photoelectron spectrum has also been recorded from 8.2 to 9.5 eV and compared to previous low resolution works. A new value of 8.521 ± 0.002 eV for the ground ionic state adiabatic ionisation energy is proposed. Absolute photoabsorption cross sections were derived in the 10–26 eV range from electron scattering data. All spectra presented in this paper represent the highest resolution data yet reported for limonene. These experiments are complemented by new ab initio calculations performed for the three most abundant conformational isomers of limonene, which we then used in the assignment of the spectral bands.

Item Type: Journal Article
Copyright Holders: 2012 the Owner Societies
ISSN: 1463-9076
Academic Unit/Department: Science > Physical Sciences
Interdisciplinary Research Centre: Centre for Earth, Planetary, Space and Astronomical Research (CEPSAR)
eSTEeM
Item ID: 32023
Depositing User: Astrid Peterkin
Date Deposited: 01 Feb 2012 16:35
Last Modified: 18 Mar 2014 10:36
URI: http://oro.open.ac.uk/id/eprint/32023
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