Hostname: page-component-cd9895bd7-gvvz8 Total loading time: 0 Render date: 2024-12-21T15:02:34.693Z Has data issue: false hasContentIssue false
  • English
  • Français

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

Core share and HTML view are not available for this content. However, as you have access to this content, a full PDF is available via the ‘Save PDF’ action button.

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

References

Bakes, E.L.O., & Tielens, A.G.G.M., 1998, ApJ, 499, 258 CrossRef
Hariharan, P.C., & Pople, J.A., 1973, Theoret. Chim. Acta., 28, 213 CrossRef
Hehre, W.J., Ditchfield, R., & Pople, J.A., 1972, J. Chem. Phys., 56, 724
Herbig, G.H., 1995, ARA&A, 33, 19 CrossRef
Kokkin, D.L., Troy, T.P., Nakajima, M., et al., 2008, ApJ, 681, L49 CrossRef
Le Page, V., Keheyan, Y., Bierbaum, V.M., & Snow, T.P., 1997, J. Am. Chem. Soc., 119, 8373 CrossRef
Le Page, V., Snow, T.P., & Bierbaum, V.M., 2003, ApJ, 584, 316 CrossRef
Malloci, G., Mulas, G., Cappellini, G., Fiorentini, V., & Porceddu, I., 2005, A&A, 432, 585
McCarthy, M.C., Gottlieb, C.A., Gupta, H., & Thaddeus, P., 2006, ApJ, 652, L141 CrossRef
Pilleri, et al., 2009 MNRAS, 397, 1053
Sarre, P.J., 2006, J. Mol. Spectrosc., 238, 1 CrossRef
Shao, Y., et al., 2006, Phys. Chem. Chem. Phys., 8, 3172 CrossRef
Snow, T.P., Le Page, V., Keheyan, Y., & Bierbaum, V.M., 1998, Nature, 391, 259 CrossRef
Tielens, A.G.G.M., 2008, ARA&A, 46, 289 CrossRef
Western, C.M., PGOPHER, a Program for Simulating Rotational Structure (version 6.0.111), University of Bristol, http://pgopher.chm.bris.ac.uk