Abstract
We present elastic integral cross sections for electron collisions with ethylene oxide and thiirane. The calculations were performed with R-matrix method in the static-exchange and static exchange polarization approximations for electron energies ranging from 0.01 to 15 eV. We found two shape resonances in the 2B1 and 2B2 symmetry in each molecule. We also detected one shape resonance in the 2A1 symmetry for thiirane. The positions of the resonances agree well with available results. We shed some light on the nature of the resonances of these two compounds together with molecular orbital calculations. The similarities and differences among the resonances are discussed.
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References
L.G. Christophorou, Electron–molecule interactions and their applications (Academic Press, New York, 1984)
R.K. Janev, H.W. Drawin, Atomic and plasma-material interaction processes in controlled thermonuclear fusion (Elsevier, Amsterdam, 1993)
J.J. Perry, Y.H. Kim, J.L. Fox, H.S. Porter, J. Geophys. Res. 104, 16541 (1999)
W.L. Morgan, Adv. At. Mol. Phys. 43, 79 (2000)
B. Boudaïffa, P. Cloutier, D. Hunting, M.A. Huels, L. Sanche, Science 287, 1658 (2000)
M. Allan, L. Andric, J. Chem. Phys. 105, 3559 (1996)
C. Szmytkowski, A. Domaracka, P. Mozejko, J. Ptasińska-Denga, J. Chem. Phys. 130, 134316 (2009)
J. Tennyson, Phys. Rep. 491, 29 (2010)
P.G. Burke, K.A. Berrington, Atomic and molecular processes: an R-matrix approach (Institute of Physics, Bristol, 1993)
J.M. Carr, P.G. Galiatsatos, J.D. Gorfinkiel, A.G. Harvey, M.A. Lysaght, D. Madden, Z. Maxšin, M. Plummer, J. Tennyson, H.N. Varambhia, Eur. Phys. J. D. 66, 1 (2012)
K.D. Wang, S.C. Guo, J. Meng, X.T. Huang, Y.F. Wang, Phys. Rev. A. 94, 032703 (2016)
K.D. Wang, H.X. Zhang, X.T. Huang, Y.F. Liu, J.F. Sun, Phys. Rev. A. 97, 012703 (2018)
M.A. Morrison, Adv. At. Mol. Phys. 24, 51 (1988)
F.A. Gianturco, A. Jain, Phys. Rep. 143, 347 (1986)
N. Sanna, F.A. Gianturco, Comput. Phys. Commun. 114, 142 (1998)
A. Faure, J. D. Gorfinkiel, L. A. Morgan, J. Tennyson, Comput. Phys. Commun. 144, 224 (2002)
B.M. Nestmann, R.K. Nesbet, S.D. Peyerimhoff, J. Phys. B: At. Mol. Opt. Phys. 24, 5133 (1991)
NIST, Computational Chemistry Comparison and Benchmark Database, Available at: http://cccbdb.nist.gov
R. Zhang, A. Fature, J. Tennyson, Phys. Scr. 80, 015301 (2009)
A.G. Sanz, M.C. Fuss, F. Blanco, Z. Mašín, J.D. Gorfinkiel, R.P. McEachran, M.J. Brunger, G. García, Phys. Rev. A. 88, 062704 (2013)
M.W. Schmidt, K.K. Baldridge, J.A. Boatz, S.T. Elbert, M.S. Gordon, J.H. Jensen, S. Koseki, N. Matsunaga, K.A. Nguyen, S.J. Su, T.L. Windus, M. Dupuis, J.A. Montgomery, J. Comput. Chem. 14, 1347 (1993)
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Wang, K., Li, X., Zhang, H. et al. Low-energy electron elastic scattering from ethylene oxide and thiirane. Eur. Phys. J. D 72, 68 (2018). https://doi.org/10.1140/epjd/e2018-80786-6
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DOI: https://doi.org/10.1140/epjd/e2018-80786-6