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, Nigel, Duflot, D., Limao-Vieira, P. (2012) Electronic state spectroscopy of 1,4-pentadiene as studied by VUV photoabsorption spectroscopy and ab initio calculations. Journal of Physical Chemistry A, 116 (31). pp. 8176-8184. (doi:10.1021/jp305905j) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:74733)

The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided.
Official URL: https://doi.org/10.1021/jp305905j

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:	Article
DOI/Identification number:	10.1021/jp305905j
Uncontrolled keywords:	Ab initio calculations, Conformational isomers, Experimental data, High resolution, Ionic state, Photoabsorption cross sections, Photoabsorption spectra, Photoabsorption spectroscopy, Rydberg transitions, Wavelength ranges, Calculations, Isomers, Photolysis, Radiation, alkadiene, article, chemistry, quantum theory, ultraviolet spectrophotometry, Alkadienes, Quantum Theory, Spectrophotometry, Ultraviolet
Divisions:	Divisions > Division of Natural Sciences > Physics and Astronomy
Depositing User:	Nigel Mason
Date Deposited:	17 Jul 2019 14:09 UTC
Last Modified:	05 Nov 2024 12:38 UTC
Resource URI:	https://kar.kent.ac.uk/id/eprint/74733 (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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