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Spectroscopy of Protonated and Deprotonated PAHs

Published online by Cambridge University Press:  30 March 2011

C. Joblin ,
A.G.G.M. Tielens ,
M. Hammonds ,
A. Pathak ,
A. Candian  and
P.J. Sarre
M. Hammonds
Affiliation:
School of Chemistry, The University of Nottingham, University Park, Nottingham, NG7 2RD, UK
A. Pathak
Affiliation:
Indian Institute of Astrophysics, Koramangala, Bangalore 560034, India; Present address: Physics Department, Tezpur University, Tezpur- 784 028, India
A. Candian
Affiliation:
School of Chemistry, The University of Nottingham, University Park, Nottingham, NG7 2RD, UK
P.J. Sarre
Affiliation:
School of Chemistry, The University of Nottingham, University Park, Nottingham, NG7 2RD, UK

Abstract

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The spectroscopic properties of protonated and deprotonated PAHs are investigated throughDensity Functional Theory (DFT) calculations, with reference to their potentialastrophysical significance. Attention is focussed on electronic and rotationalspectra.

Type
Research Article
Information
European Astronomical Society Publications Series , Volume 46: PAHs and the Universe: A Symposium to Celebrate the 25thAnniversary of the PAH Hypothesis , 2011 , pp. 373 - 379
Copyright
© EAS, EDP Sciences 2011

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