Abstract
We present a detailed analysis of the effect of the well known third π ∗ resonance on the angular behaviour of the elastic cross section in electron scattering from pyrimidine. This resonance, occurring approximately at 4.7 eV, is of mixed shape and core-excited character. Experimental and theoretical results show the presence of a peak/dip behaviour in this energy range, that is absent for other resonances. Our investigations show that the cause of the peak/dip is an interference of background p-wave to p-wave scattering amplitudes with the amplitudes for resonant scattering. The equivalent resonance in pyrazine shows the same behaviour and the effect is therefore likely to appear in other benzene-like molecules.
Graphical abstract
Article PDF
Similar content being viewed by others
Avoid common mistakes on your manuscript.
References
P. Palihawadana, J. Sullivan, M. Brunger, C. Winstead, V. McKoy, G. García, F. Blanco, S. Buckman, Phys. Rev. A 84, 062702 (2011)
A. Modelli, P. Bolognesi, L. Avaldi, J. Phys. Chem. A 115, 10775 (2011)
D.B. Jones, S.M. Bellm, F. Blanco, M. Fuss, G. Garcia, P. Limão-Vieira, M.J. Brunger, J. Chem. Phys. 137, 074304 (2012)
D.B. Jones, S.M. Bellm, P. Limão-Vieira, M.J. Brunger, Chem. Phys. Lett. 535, 30 (2012)
M. Neustetter, J. Aysina, F.F. da’Silva, S. Denifl, Angew. Chem. Int. Ed. 54, 9124 (2015)
A.S. Barbosa, D.F. Pastega, M.H.F. Bettega, J. Chem. Phys. 143, 244316 (2015)
C. Winstead, V. McKoy, Phys. Rev. A 76, 012712 (2007)
Z. Mašín, J.D. Gorfinkiel, D.B. Jones, S.M. Bellm, M.J. Brunger, J. Chem. Phys. 136, 144310 (2012)
Z. Mašín, J.D. Gorfinkiel, J. Chem. Phys. 137, 204312 (2012)
A. Sanz, M. Fuss, F. Blanco, Z. Mašín, J.D. Gorfinkiel, F. Carelli, F. Sebastianelli, F. Gianturco, G. García, Appl. Rad. Isotopes 83, 57 (2014)
B. Boudaïffa, P. Cloutier, D. Hunting, M.A. Huels, L. Sanche, Science 287, 1658 (2000)
I. Baccarelli, I. Bald, F.A. Gianturco, E. Illenberger, J. Kopyra, Phys. Rep. 508, 1 (2011)
I. Nenner, G.J. Schulz, J. Chem. Phys. 62, 1747 (1975)
K. Regeta, M. Allan, C. Winstead, V. McKoy, Z. Mašín, J.D. Gorfinkiel, J. Chem. Phys. 144, 024301 (2016)
K. Regeta, M. Allan, Z. Mašín, J.D. Gorfinkiel, J. Chem. Phys. 144, 024302 (2016)
J. Tennyson, Phys. Rep. 491, 29 (2010)
P.G. Burke, R-Matrix Theory of Atomic Collisions: Application to Atomic, Molecular and Optical Processes (Springer, 2011)
J.M. Carr, P.G. Galiatsatos, J.D. Gorfinkiel, A.G. Harvey, M.A. Lysaght, D. Madden, Z. Mašín, M. Plummer, J. Tennyson, H.N. Varambhia, Eur. Phys. J. D 66, 58 (2012)
N. Sanna, F.A. Gianturco, Comput. Phys. Commun. 114, 142 (1998)
H.J. Werner et al., MOLPRO, version 2009.1, a package of ab initio programs (2009)
J.R. Taylor, Scattering theory: The quantum theory on nonrelativistic collisions (Dover, 2006)
Z. Mašín, J.D. Gorfinkiel, J. Chem. Phys. 135, 144308 (2011)
Author information
Authors and Affiliations
Corresponding authors
Rights and permissions
Open Access This article is distributed under the terms of the Creative Commons Attribution 4.0 International License (https://creativecommons.org/licenses/by/4.0), which permits use, duplication, adaptation, distribution, and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made.
About this article
Cite this article
Mašín, Z., Gorfinkiel, J. Effect of the third π ∗ resonance on the angular distributions for electron-pyrimidine scattering. Eur. Phys. J. D 70, 151 (2016). https://doi.org/10.1140/epjd/e2016-70165-x
Received:
Revised:
Published:
DOI: https://doi.org/10.1140/epjd/e2016-70165-x