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Electronic state spectroscopy of 1,4-Pentadiene as studied by VUV photoabsorption spectroscopy and ab initio calculations

Sério, S.; Nunes, Y.; Hoffmann, S. V.; Mason, N. J.; Duflot, D. and Limão-Vieira, P. (2012). Electronic state spectroscopy of 1,4-Pentadiene as studied by VUV photoabsorption spectroscopy and ab initio calculations. The Journal of Physical Chemistry A, 116(31) pp. 8176–8184.

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DOI (Digital Object Identifier) Link: http://dx.doi.org/10.1021/jp305905j
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Abstract

We present high resolution VUV photoabsorption spectra of 1,4-pentadiene, C5H8, over the wavelength range 115−247 nm (10.8−5.0 eV). These spectra reveal several new features not previously reported in the literature. These measurements are complemented by the first ab initio calculations for the three most abundant conformational isomers of 1,4-pentadiene, C5H8, which we then use in the assignment of valence and Rydberg transitions. Calculations of the two lowest energy ionic states of 1,4-pentadiene are also presented and compared with the experimental data available in the literature. The measured absolute photoabsorption cross sections have been used to calculate the photolysis lifetime of 1,4-pentadiene in the upper stratosphere (20−50 km).

Item Type: Journal Article
Copyright Holders: 2012 American Chemical Society
ISSN: 1520-5215
Academic Unit/Department: Science > Physical Sciences
Interdisciplinary Research Centre: Centre for Earth, Planetary, Space and Astronomical Research (CEPSAR)
eSTEeM
Item ID: 34164
Depositing User: Astrid Peterkin
Date Deposited: 15 Aug 2012 14:13
Last Modified: 26 Mar 2014 06:17
URI: http://oro.open.ac.uk/id/eprint/34164
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