Electron Collisions with Multielectron Atoms and Fullerene Molecules: Strong Polarisation Effects

Authors

DOI:

https://doi.org/10.25159/3005-2602/13842

Keywords:

multielectron atoms, electron correlation, core-polarisation, cross sections, electron affinities, fullerene molecules, negative ions, Regge poles

Abstract

Regge pole-calculated low-energy electron elastic total cross sections for multielectron atoms/fullerenes are characterised by ground, metastable and excited negative-ion formation, shape resonances and Ramsauer-Townsend minima. In this article, we demonstrate through the total cross sections for Eu, Au and At atoms and C60 fullerene the sensitivity of stable negative-ion formation to the crucial core-polarisation potential. The energy positions of the dramatically sharp resonances corresponding to the binding energies of the formed anions during the collisions agree excellently with the measured electron affinities of the atoms and C60. The sensitivity of Ramsauer-Townsend minima and shape resonances to the electronic structure and dynamics of Bk and Cf permits their first ever use as novel validation of the experimental observation that Cf is indeed a transitional element in the actinide series. Their electron affinities are also calculated.

Metrics

Metrics Loading ...

Author Biography

Zineb Felfli, Clark Atlanta University

PhD

References

A. Z. Msezane and Z. Felfli, “Rigorous negative ion binding energies in low-energy electron elastic collisions with heavy multi-electron atoms and fullerene molecules: Validation of electron affinities,” Atoms., vol. 11, no. 3, p. 47, 2023, doi: 10.3390/atoms11030047. DOI: https://doi.org/10.3390/atoms11030047

A. Müller et al., “Probing electronic structure in berkelium and californium via an electron microscopy nanosampling approach,” Nat. Commun., vol. 12, p. 948, 2021, doi: 10.1038/s41467-021-21189-1. DOI: https://doi.org/10.1038/s41467-021-21189-1

D. Leimbach et al., “The electron affinity of astatine,” Nat. Commun., vol. 11, p. 3824, 2020, doi: 10.1038/s41467-020-17599-2. DOI: https://doi.org/10.1038/s41467-020-17599-2

T. Rulin et al., “Candidate for laser cooling of a negative ion: High-resolution photoelectron imaging of Th−,” Phys. Rev. Lett., vol. 123, p. 203002, 2019, doi: 10.1103/PhysRevLett.123.203002. DOI: https://doi.org/10.1103/PhysRevLett.123.203002

T. Rulin, L. Yuzhu, L. Hongtao and N. Chuangang, “Electron affinity of uranium and bound states of opposite parity in its anion,” Phys. Rev. A., vol. 103, p. L050801, 2021, doi: 10.1103/PhysRevA.103.L050801. DOI: https://doi.org/10.1103/PhysRevA.103.L050801

S. M. Ciborowski et al., “The electron affinity of the uranium atom,” J. Chem. Phys., vol. 154, p. 224307, 2021, doi: 10.1063/5.0046315. DOI: https://doi.org/10.1063/5.0046315

J. N. L. Connor, “New theoretical methods for molecular collisions: The complex angular-momentum approach,” J. Chem. Soc. Faraday Trans., vol. 86, p. 1627, 1990, doi: 10.1039/ft9908601627. DOI: https://doi.org/10.1039/ft9908601627

S. C. Frautschi, Regge poles and S-matrix theory. New York, NY, USA: Benjamin, 1963.

V. D’Alfaro and T Regge, Potential scattering. Amsterdam: North-Holland, 1965.

R. Omnès and M. Froissart, Mandelstam theory and Regge poles: An introduction for experimentalists. New York, NY, USA: Benjamin, 1963.

A. Hiscox, B.M. Brown and M. Marletta, “On the low energy behavior of Regge poles,” J. Math. Phys., vol. 51, p. 102104, 2010, doi: 10.1063/1.3496811. DOI: https://doi.org/10.1063/1.3496811

H. P. Mulholland, “An asymptotic expansion for ∑_0^∞▒(2n+1) exp (−σ(n+1/2)2),” Proc. Camb. Phil. Soc., vol. 24, pp. 280–289, 1928, doi: 10.1017/S0305004100015796. DOI: https://doi.org/10.1017/S0305004100015796

J. H. Macek, P. S. Krstic and S. Y. Ovchinnikov, “Regge oscillations in integral cross sections for proton impact on atomic hydrogen,” Phys. Rev. Lett., vol. 93, p. 183203, 2004, doi: 10.1103/PhysRevLett.93.183203. DOI: https://doi.org/10.1103/PhysRevLett.93.183203

D. Sokolovski et al., “Regge oscillations in electron-atom elastic cross sections,” Phys. Rev. A., vol. 76, p. 012705, 2007, doi: 10.1103/PhysRevA.76.012705. DOI: https://doi.org/10.1103/PhysRevA.76.012705

S. Belov Sergey et al.,. “On Regge pole trajectories for a rational function approximation of Thomas-Fermi potentials,” J. Phys. A., vol. 43, p. 365301, 2010, doi: 10.1088/1751-8113/43/36/365301. DOI: https://doi.org/10.1088/1751-8113/43/36/365301

K.-E. Thylwe and P. McCabe, “Partial-wave analysis of particular peaks in total scattering cross sections caused by a single partial wave,” Eur. Phys. J. D., vol. 68, p. 323, 2014, doi: 10.1140/epjd/e2014-50409-7. DOI: https://doi.org/10.1140/epjd/e2014-50409-7

Z. Felfli, A. Z. Msezane and D. Sokolovski, “Resonances in low-energy electron elastic cross sections for lanthanide atoms,” Phys. Rev. A., vol. 79, p. 012714, 2009, doi: 10.1103/PhysRevA.79.012714. DOI: https://doi.org/10.1103/PhysRevA.79.012714

V. K. Dolmatov, M. Y. Amusia and L. V. Chernysheva, “Electron elastic scattering off A@C60: The role of atomic polarization under confinement,” Phys. Rev. A., vol. 95, p. 012709, 2017.

Z. Felfli et al., “Regge poles trajectories for nonsingular potentials: The Thomas-Fermi potentials,” in Proceedings of the Third International Workshop on Contemporary Problems in Mathematical Physics, Cotonou, Republic of Benin, 1–7 November 2003, J. Govaerts, M. N. Hounkonnou and A. Z. Msezane, Eds. Singapore: World Scientific, 2004, pp. 218–232. DOI: https://doi.org/10.1142/9789812702487_0009

D. Sokolovski et al., “What can one do with Regge poles?” Nuc. Instrum. Methods Phys. Res. B., vol. 261, p. 133, 2007, doi: 10.1016/j.nimb.2007.04.057. DOI: https://doi.org/10.1016/j.nimb.2007.04.057

P. G. Burke and C. Tate, “A program for calculating Regge trajectories in potential scattering,” Comp. Phys. Commun., vol. 1, 97, 1969, doi: 10.1016/0010-4655(69)90003-4. DOI: https://doi.org/10.1016/0010-4655(69)90003-4

A. Z. Msezane and Z. Felfli, “Low-energy electron scattering from fullerenes and heavy complex atoms: Negative ions formation,” Eur. Phys. J. D., vol. 72, p. 173, 2018, doi: 10.1140/epjd/e2018-90121-0. DOI: https://doi.org/10.1140/epjd/e2018-90121-0

K. W. Thylwe, “On relativistic shifts of negative-ion resonances,” Eur. Phys. J. D., vol. 66, p. 7, 2012, doi: 10.1140/epjd/e2011-20530-4. DOI: https://doi.org/10.1140/epjd/e2011-20530-4

Z. Felfli and A. Z. Msezane, “Simple method for determining fullerene negative ion formation,” Eur. Phys. J. D., vol. 72, p. 78, 2018, doi: 10.1140/epjd/e2018-80420-9. DOI: https://doi.org/10.1140/epjd/e2018-80420-9

S.-B. Cheng and A. W. Castleman, “Direct experimental observation of weakly-bound character of the attached electron in europium anion,” Sci. Rep., vol. 5, p. 12414, 2015, doi: 10.1038/srep12414. DOI: https://doi.org/10.1038/srep12414

S. M. O’Malley and D. R. Beck, “Valence calculations of lanthanide anion binding energies: 6p attachments to 4∫n6s2 thresholds,” Phys. Rev. A., vol. 78, p. 012510, 2008, doi: 10.1103/PhysRevA.78.012510. DOI: https://doi.org/10.1103/PhysRevA.78.012510

H. Hotop and W. C. Lineberger, “Dye-laser photodetachment studies of Au−, Pt−, PtN−, and Ag−,” J. Chem. Phys., vol. 58, p. 2379, 2003, doi: 10.1063/1.1679515. DOI: https://doi.org/10.1063/1.1679515

T. Andersen, H. K. Haugen and H. Hotop, “Binding energies in atomic negative ions: III,” J. Phys. Chem. Ref. Data., vol. 28, p. 1511, 1999, doi: 10.1063/1.556047. DOI: https://doi.org/10.1063/1.556047

W. Zheng et al., “Anion photoelectron spectroscopy of Au−(H2O)1,2, Au2-(D2O)1-4, and AuOH−,” Chem. Phys. Lett., vol. 444, pp. 232–236, 2007, doi: 10.1016/j.cplett.2007.07.036. DOI: https://doi.org/10.1016/j.cplett.2007.07.036

L. F. Pašteka et al., “Relativistic coupled cluster calculations with variational quantum electrodynamics resolve the discrepancy between experiment and theory concerning the electron affinity and ionization potential of gold,” Phys. Rev. Lett., vol. 118, p. 023002, 2017, doi: 10.1103/PhysRevLett.118.023002. DOI: https://doi.org/10.1103/PhysRevLett.118.023002

Z. Felfli, A. Z. Msezane and D. Sokolovski, “Slow electron elastic scattering cross sections for In, Tl, Ga and At atoms,” J. Phys. B., vol. 45, p. 045201, 2012, doi: 10.1088/0953-4075/45/4/045201. DOI: https://doi.org/10.1088/0953-4075/45/4/045201

R. J. Zollweg, “Electron affinities of the heavy elements,” J. Chem. Phys., vol. 50, p. 4251, 1969, doi: 10.1063/1.1670890. DOI: https://doi.org/10.1063/1.1670890

J. Li et al., “Theoretical study for the electron affinities of negative ions with the MCDHF method,” J. Phys. B., vol. 45, p. 165004, 2012, doi: 10.1088/0953-4075/45/16/165004. DOI: https://doi.org/10.1088/0953-4075/45/16/165004

R. Si and C. Froese Fischer, “Electron affinities of At and its homologous elements Cl, Br, I,” Phys. Rev. A., vol. 98, p. 052504, 2018, doi: 10.1103/PhysRevA.98.052504. DOI: https://doi.org/10.1103/PhysRevA.98.052504

A. Borschevsky et al., “Ionization potentials and electron affinities of the superheavy elements 115-117 and their sixth-row homologues Bi, Po, and At,” Phys. Rev. A., vol. 91, p. 020501, 2015, doi: 10.1103/PhysRevA.91.020501. DOI: https://doi.org/10.1103/PhysRevA.91.020501

D.-C. Sergentu et al., “Scrutinizing ‘invisible’ astatine: A challenge for modern density functionals,” J. Comp. Chem., vol. 37, p. 1345, 2016, doi: 10.1002/jcc.24326. DOI: https://doi.org/10.1002/jcc.24326

D.-L. Huang et al., “High-resolution photoelectron imaging of cold C60- anions and accurate determination of the electron affinity of C60,” J. Chem. Phys., vol. 140, p. 224315, 2014, doi: 10.1063/1.4881421. DOI: https://doi.org/10.1063/1.4881421

C. Brink et al., “Laser photodetachment of C60− and C70− ions cooled in a storage ring,” Chem. Phys. Lett., vol. 233, 52–56, 1995, doi: 10.1016/0009-2614(94)01413-P. DOI: https://doi.org/10.1016/0009-2614(94)01413-P

X.-B. Wang, C.F. Ding and L.-S. Wang, “High resolution photoelectron spectroscopy of C−60,” J. Chem. Phys., vol. 110, p. 8217, 1999, doi: 10.1063/1.478732. DOI: https://doi.org/10.1063/1.478732

V. T. Davis and J. S. Thompson, “An experimental investigation of the atomic europium anion,” J. Phys. B., vol. 37, p. 1961, 2004, doi: 10.1088/0953-4075/37/9/015. DOI: https://doi.org/10.1088/0953-4075/37/9/015

Z. Felfli, A. Z. Msezane and D. Sokolovski, “Near-threshold resonances in electron elastic scattering cross sections for Au and Pt atoms: Identification of electron affinities,” J. Phys. B., vol. 41, p. 105201, 2008, doi: 10.1088/0953-4075/41/10/105201. DOI: https://doi.org/10.1088/0953-4075/41/10/105201

L. A. Cole and J. P. Perdew, “Calculated electron affinities of the elements,” Phys. Rev. A., vol. 25, p. 1265, 1982, doi: 10.1103/PhysRevA.25.1265. DOI: https://doi.org/10.1103/PhysRevA.25.1265

R. Wesendrup, J. K. Laerdahl and P. Schwerdtfeger, “Relativistic effects in gold chemistry. VI. Coupled cluster calculations for the isoelectronic series AuPt−, Au2, and AuHg+,” J. Chem. Phys., vol. 110, p. 9457, 1999, doi: 10.1063/1.478911. DOI: https://doi.org/10.1063/1.478911

O. V. Boltalina et al., “Electron affinities of higher fullerenes,” Rapid Commun. Mass Spectrom., vol. 7, p. 1009, 1993, doi: 10.1002/rcm.1290071109. DOI: https://doi.org/10.1002/rcm.1290071109

B. Palpant et al., “Photoelectron spectroscopy of sodium-coated C60 and C70 cluster anions,” Phys. Rev. B., vol. 60, p. 4509, 1999, doi: 10.1103/PhysRevB.60.4509. DOI: https://doi.org/10.1103/PhysRevB.60.4509

M. L. Tiago et al., “Neutral and charged excitations in carbon fullerenes from first-principles many-body theories,” J. Chem. Phys., vol. 129, p. 084311, 2008, doi: 10.1063/1.2973627. DOI: https://doi.org/10.1063/1.2973627

S. M. O’Malley and D. R. Beck, “Valence calculations of actinide anion binding energies: All bound 7p and 7s attachments,” Phys. Rev. A., vol. 80, p. 032514, 2009, doi: 10.1103/PhysRevA.80.032514. DOI: https://doi.org/10.1103/PhysRevA.80.032514

Y. Guo and M. A. Whitehead, “Electron affinities of alkaline-earth and actinide elements calculated with the local-spin-density-functional theory,” Phys. Rev. A., vol. 40, p. 28, 1989, doi: 10.1103/PhysRevA.40.28. DOI: https://doi.org/10.1103/PhysRevA.40.28

S. Nagase and K. Kabayashi, “Theoretical study of the lanthanide fullerene CeC82. Comparison with ScC82, YC82 and LaC82,” Chem. Phys. Lett., vol. 228, pp. 106–110, 1999, doi: 10.1016/0009-2614(94)00911-2. DOI: https://doi.org/10.1016/0009-2614(94)00911-2

V. G. Zakrzewski, O. Dolgounitcheva and J. V. Ortiz, “Electron propagator calculations on the ground and excited states of C60−,” J. Phys. Chem. A., vol. 118, pp. 7424–7429, 2014, doi: 10.1021/jp412813m. DOI: https://doi.org/10.1021/jp412813m

A. Z. Msezane and Z. Felfli, “New insights in low-energy electron-fullerene interactions,” Chem. Phys., vol. 503, pp. 50–55, 2018, doi: 10.1016/j.chemphys.2018.02.005. DOI: https://doi.org/10.1016/j.chemphys.2018.02.005

H. W. van der Hart, C. Laughlin and J. E. Hansen, “Influence of core polarization on the electron affinity of Ca,” Phys. Rev. Lett., vol. 71, p. 1506, 1993, doi: 10.1103/PhysRevLett.71.1506. DOI: https://doi.org/10.1103/PhysRevLett.71.1506

W. R. Johnson and C. Guet, “Elastic scattering of electrons from Xe, Cs+, and Ba2+,” Phys. Rev. A., vol. 49, p. 1041, 1994, doi: 10.1103/PhysRevA.49.1041. DOI: https://doi.org/10.1103/PhysRevA.49.1041

S. Aubin et al., “Rapid sympathetic cooling to Fermi degeneracy on a chip,” Nature Phys., vol. 2, p, 384, 2006, doi: 10.1038/nphys309. DOI: https://doi.org/10.1038/nphys309

H. Hotop, M. W. Rul and I. I. Fabrikant, “Resonance and threshold phenomena in low-energy electron collisions with molecules and clusters,” Physica Scripta., vol. T110, p. 22, 2004, doi: 10.1238/Physica.Topical.110a00022. DOI: https://doi.org/10.1238/Physica.Topical.110a00022

S. Zivanov et al., “Dissociative electron attachment and electron energy-loss spectra of phenyl azide,” J. Phys. B., vol. 40, p. 101, 2007, doi: 10.1088/0953-4075/40/1/009. DOI: https://doi.org/10.1088/0953-4075/40/1/009

P. D. Burrow, J. A. Michejda and J. Comer, “Low-energy electron scattering from Mg, Zn, Cd, and Hg: Shape resonances and electron affinities,” J. Phys. B., vol. 9, p. 3225, 1976, doi: 10.1088/0022-3700/9/18/014. DOI: https://doi.org/10.1088/0022-3700/9/18/014

K. Suggs and A. Z. Msezane, “Doubly-charged negative ions as novel tunable catalysts: Graphene and fullerene molecules versus atomic metals,” Int. J. Mol. Sci., vol. 21, no. 18, p. 6714, 2020, doi: 10.3390/ijms21186714. DOI: https://doi.org/10.3390/ijms21186714

Downloads

Published

2023-08-10

How to Cite

[1]
A. Z. Msezane and Z. Felfli, “Electron Collisions with Multielectron Atoms and Fullerene Molecules: Strong Polarisation Effects”, NH, vol. 2, p. 14 pages, 2023.

Issue

Section

Articles
Received 2023-06-11
Accepted 2023-07-12
Published 2023-08-10