Abstract
For small size, the cluster Xn with X = Hg, Cd or Zn displays a van der Waals bond. A model Hamiltonian has been proposed for the singly (doubly) ionized van der Waals clusters Xn+ (Xn++). The first and second ionization potentials of Xn have been calculated. A good agreement is obtained with the available experiment values of the first ionization potential of mercury and cadmium. The stability and the metastability of Xn++ are discussed. The energy curves versus the bond length for Hg2++, Cd2++ and Zn2++ have been determined. The hole(s) in charged clusters Xn+ and Xn++ for 2 ≤ n ≤ 7 is (are) mainly delocalized, except for Hgn+ with n ≥ 4 where the hole is localized on two or three sites.
Graphical abstract
Similar content being viewed by others
References
E. Pahl, P. Schwerdtfeger, in Handbook of Nanophysics: Clusters and Fullerenes, edited by K. Satler (CRC Press, Boca Raton, 2011), Vol. 2, Part I
C. Bréchignac, M. Broyer, Ph Cahuzac, G. Delacretaz, P. Labastie, L. Wöste, Chem. Phys. Lett. 120, 559 (1985)
B. Cabaud, A. Hoareau, P. Melinon, J. Phys. D 13, 1831 (1980)
C. Bréchignac, M. Broyer, Ph Cahuzac, G. Delacretaz, P. Labastie, J.P. Wolf, L. Wöste, Phys. Rev. Lett. 60, 275 (1988)
K. Rademann, O. Dimopoulou-Rademann, M. Schlauf, U. Even, F. Hensel, Phys. Rev. Lett. 69, 3208 (1992)
H. Haberland, B. von Issendorff, J. Yufeng, T. Kolar, Phys. Rev. Lett. 69, 3212 (1992)
H. Haberland, H. Kornmeier, H. Langosch, M. Oschwald, G. Tanner, J. Chem. Soc. Faraday Trans. 86, 2473 (1990)
R. Busani, M. Folkers, O. Cheshnovsky, Phys. Rev. Lett. 81, 3836 (1998)
H. Ito, T. Sakurai, T. Matsuo, T. Ichihara, I. Katakuse, Phys. Rev. B 48, 4741 (1993)
J. Blanc, M. Broyer, Ph Dugourd, P. Labastie, M. Sence, J.P. Wolf, L. Wöste, J. Chem. Phys. 102, 680 (1995)
K. Rademann, B. Kaiser, U. Even, F. Hensel, Phys. Rev. Lett. 59, 2319 (1987)
K. Rademann, M. Ruppel, B. Kaiser, Ber. Bunsenges. Phys. Chem. 96, 1204 (1992)
B. Kaiser, K. Rademann, Phys. Rev. Lett. 69, 3204 (1992)
B. Lang, A. Vierheilig, E. Wiedenmann, H. Buchenau, G. Gerber, Eur. Phys. J. D 40, 1 (1997)
B. Bescὸs, B. Lang, J. Weiner, V. Weiss, E. Wiedenmann, G. Gerber, Eur. Phys. J. D 9, 399 (1999)
J.R.R. Verlet, A.E. Bragg, A. Kammrath, O. Cheshnovsky, D.M. Neumark, J. Chem. Phys. 121, 10015 (2004)
A.E. Bragg, J.R.R. Verlet, A. Kammrath, O. Cheshnovsky, D.M. Neumark, J. Chem. Phys. 122, 054314 (2005)
R.M. Young, G.B. Griffin, O.T. Ehrler, A. Kammrath, A.E. Bragg, J.R.R. Verlet, O. Cheshnovsky, D.M. Neumark, Phys. Scr. 80, 48102 (2009)
M. Ruppel, K. Rademann, Chem. Phys. Lett. 197, 280 (1992)
K. Rademann, J. Non-Cryst, Solids 156–158, 794 (1993)
G.M. Pastor, K.H. Bennemann, in Clusters of Atoms and Molecules, edited by H. Haberland, Vol. I (Spriger, Berlin, 1995), 7, pp. 86–113
G.M. Pastor, P. Stampfli, K.H. Bennemann, Europhys. Lett. 7, 419 (1988)
M.E. Garcia, G.M. Pastor, K.H. Bennemann, Phys. Rev. Lett. 67, 1142 (1991)
M.E. Garcia, G.M. Pastor, K.H. Bennemann, Phys. Rev. B. 48, 8388 (1993)
P. Joyes, R.J. Tarento, J. Phys. France 50, 2673 (1989)
A.A. Aligia, M.E. Garcia, K.H. Bennemann, Europhys. Lett. 21, 177 (1993)
H. Kitamura, J. Phys. Condens. Matter 15, 6427 (2003)
H. Kitamura, Chem. Phys. Lett. 425, 205 (2006)
M. Dolg, H.-J. Flad, Mol. Phys. 91, 815 (1997)
F. Calvo, E. Pahl, P. Schwerdtfeger, F. Spiegelman, J. Chem. Theory Comput. 8, 639 (2012)
T. Satoh, H. Ito, T. Ichihara, H. Sakae, I. Katakuse, J. Mass. Spectrom. Jpn. 51, 393 (2003)
M. Nakamura, R.J. Tarento, J. Chem. Phys. 148, 084312 (2018)
H.-J. Flad, F. Schautz, Y. Wang, M. Dolg, A. Savin, Eur. Phys. J. D 6, 243 (1999)
R.D. van Zee, S.C. Blankespoor, T.S. Zwier, J. Chem. Phys. 88, 4650 (1988)
M. Yu, M. Dolg, Chem. Phys. Lett. 273, 329 (1997)
M. Amarouche, G. Durand, J.P. Malrieu, J. Chem. Phys. 88, 1010 (1988)
M. Amarouche, G. Durand, J.P. Malrieu, Z. Phys. D 8, 289 (1988)
W.A. Harrison, Electronic Structure and the Properties of Solids (W.H. Freeman and Company, San Francisco, 1980)
A.A. Abrahamson, Phys. Rev. 178, 76 (1969)
J.K. Nagle, J. Am. Chem. Soc. 112, 4741 (1990)
S.W. Buckner, J.R. Gord, B.S. Freiser, J. Chem. Phys. 88, 3678 (1988)
R.P. Neisler, K.S. Pitzer, J. Phys. Chem. 91, 1084 (1987)
G. Durand, F. Spiegelmann, A. Bernier, J. Phys. B 80, 1161 (1987)
K. Franzreb, R. Pies Diez, J.A. Alonso, J. Chem. Phys. 130, 144312 (2009)
M. Kolbuszewski, J.S. Wright, Can. J. Chem. 71, 1562 (1993)
Author information
Authors and Affiliations
Corresponding author
Additional information
Contribution to the Topical Issue “Dynamics of Systems on the Nanoscale (2018)”, edited by Ilko Bald, Ilia A. Solov’yov, Nigel J. Mason and Andrey V. Solov’yov.
Rights and permissions
About this article
Cite this article
Tarento, R.J. Ionization potentials and charge localization in small charged group 12 clusters. Eur. Phys. J. D 73, 260 (2019). https://doi.org/10.1140/epjd/e2019-100134-4
Received:
Revised:
Published:
DOI: https://doi.org/10.1140/epjd/e2019-100134-4