Skip to main content
Log in

Ab initio and anion photoelectron studies of Rhn (n = 1 − 9) clusters

The European Physical Journal D Aims and scope Submit manuscript

Abstract

Anion photoelectron spectroscopy (PES) and ab initio calculations have been used to identify the unique structural, electronic, and magnetic properties of both neutral and anionic Rh n (n = 1 − 9) free standing clusters. Negative ion photoelectron spectra are presented for electron binding energies up to 3.493 eV. We discuss our computational results in the context of the PES experiment, in which the calculated electron affinities and vertical detachment energies are in good agreement with the measured values. Theoretically, we investigate the low-lying energy structures and the spin isomers of each neutral and anionic rhodium cluster and infer their magnetic moments. Our results show that octahedral and tetrahedral motifs are favoured in contrast to cubic motifs. Both experimental and theoretical results obtained here are compared and discussed with previous experimental and theoretical studies on the same systems.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

References

  1. I.M.L. Billas, A. Chatelain, W.A. de Heer, Science 265, 1682 (1994)

    Article  ADS  Google Scholar 

  2. J.P. Bucher, D.C. Douglass, L.A. Bloomfiled, Phys. Rev. Lett. 66, 3052 (1991)

    Article  ADS  Google Scholar 

  3. S.E. Apsel, J.W. Emmert, J. Deng, L.A. Bloomfield, Phys. Rev. Lett. 76, 1441 (1996)

    Article  ADS  Google Scholar 

  4. E.K. Parks, S.J. Riley, Z. Phys. D 33, 59 (1995)

    Article  ADS  Google Scholar 

  5. E.K. Parks, L. Zhu, J. Ho, S.J. Riley, J. Chem. Phys. 102, 7377 (1995)

    Article  ADS  Google Scholar 

  6. E.K. Parks, L. Zhu, J. Ho, S.J. Riley, J. Chem. Phys. 100, 7206 (1994)

    Article  ADS  Google Scholar 

  7. O. Sipr, M. Kosuth, H. Ebert, Phys. Rev. B 70, 174423 (2004)

    Article  ADS  Google Scholar 

  8. M.L. Tiago, Y. Zhou, M.M.G. Alemany, Y. Saad, J.R. Chelikowsky, Phys. Rev. Lett. 97, 147201 (2006)

    Article  ADS  Google Scholar 

  9. R. Felix-Medina, J. Dorantes-Davila, G.M. Pastor, Phys. Rev. B 67, 094430 (2003)

    Article  ADS  Google Scholar 

  10. K.W. Edmonds, C. Binns, S.H. Baker, S.C. Thornton, C. Norris, J.B. Goedkoop, M. Finazzi, N.B. Brookes, Phys. Rev. 60, 472 (1999)

    ADS  Google Scholar 

  11. B.V. Reddy, S.N. Khanna, B.I. Dunlap, Phys. Rev. Lett. 70, 3323 (1993)

    Article  ADS  Google Scholar 

  12. B.V. Reddy, S.K. Nayak, S.N. Khanna, B.K. Rao, P. Jena, Phys. Rev. B 59, 5214 (1999)

    Article  ADS  Google Scholar 

  13. T. Futschek, M. Marsman, J. Hafner, J. Phys. Condens. Matter 17, 5927 (2005)

    Article  ADS  Google Scholar 

  14. D. Majundar, K. Balasubramanian, J. Chem. Phys. 106, 4055 (1997)

    ADS  Google Scholar 

  15. A.J. Cox, J.G. Louderback, L.A. Bloomfield, Phys. Rev. Lett. 71, 923 (1993)

    Article  ADS  Google Scholar 

  16. A.J. Cox, J.G. Louderback, S.E. Apsel, L.A. Bloomfield, Phys. Rev. B 49, 12295 (1994)

    Article  ADS  Google Scholar 

  17. Y.-C. Bae, H. Osanai, V. Kumar, Y. Kawazoe, Phys. Rev. B 70, 195413 (2004)

    Article  ADS  Google Scholar 

  18. Y. Jinlong, F. Toigo, W. Klein, Phys. Rev. B 50, 7915 (1994)

    Article  ADS  Google Scholar 

  19. Y. Jinlong, X. Chuanyun, X. Shangda, W. Klein, Phys. Rev. B 48, 8253 (1993)

    Article  Google Scholar 

  20. K.K. Das, K. Balasubramanian, J. Chem. Phys. 93, 625 (1990)

    Article  ADS  Google Scholar 

  21. D. Dai, K. Balasubramanian, Chem. Phys. Lett. 195, 207 (1992)

    Article  ADS  Google Scholar 

  22. S.K. Nayak, S.E. Weber, P. Jena, K. Wildberger, R. Zeller, P.H. Dederichs, V.S. Stepanyk, W. Hergert, Phys. Rev. B 56, 8849 (1997)

    Article  ADS  Google Scholar 

  23. P. Ghosh, R. Pushpa, S. de Gironcoli, S. Narasimhan, J. Chem. Phys. 128, 194708 (2008)

    Article  ADS  Google Scholar 

  24. S.M. Hamilton, W.S. Hopkins, D.J. Harding, T.R. Walsh, P. Gruene, M. Haertelt, A. Fielicke, G. Meijer, S. Mackenzie, J. Am. Chem. Soc. 132, 1448 (2010)

    Article  Google Scholar 

  25. S.M. Hamilton, W.S. Hopkins, D.J. Harding, T.R. Walsh, M. Haertelt, C. Kerpal, P. Gruene, G. Meijer, A. Fielicke, S. Mackenzie, J. Phys. Chem. A 115, 2489 (2011)

    Article  Google Scholar 

  26. A. Fielicke, G. von Helden, G. Meijer, D.B. Pedersen, B. Simard, D.M. Rayner, J. Phys. Chem. B 108, 14591 (2004)

    Article  Google Scholar 

  27. X. Li, A. Grubisic, S.T. Stokes, J. Cordes, G.F. Gantefoer, K.H. Bowen, B. Kiran, M. Willis, P. Jena, R. Burgert, H. Schnoeckel, Science 315, 356 (2007)

    Article  ADS  Google Scholar 

  28. H. Wang, Y.J. Ko, L.G. García, P. Sen, M.R. Beltrán, K.H. Bowen, Phys. Chem. Chem. Phys. 13, 7685 (2011)

    Article  Google Scholar 

  29. D.J. Harding, T.R. Walsh, S.M. Hamilton, W.S. Hopkins, S.R. Mackenzie, P. Gruene, M. Haertelt, G. Meijer, A. Fielicke, J. Chem. Phys. 132, 011101 (2010)

    Article  ADS  Google Scholar 

  30. D.J. Harding, P. Gruene, M. Haertelt, G. Meijer, A. Fielicke, S.M. Hamilton, W.S. Hopkins, S.R. Mackenzie, S.P. Neville, T.R. Walsh, J. Chem. Phys. 133, 214304 (2010)

    Article  ADS  Google Scholar 

  31. M. Gerhards, O.C. Thomas, J.M. Nilles, W.J. Zheng, K.H. Bowen, J. Chem. Phys. 116, 10247 (2002)

    Article  ADS  Google Scholar 

  32. D.G. Leopold, J. Ho, W.C. Lineberger, J. Chem. Phys. 86, 1715 (1987)

    Article  ADS  Google Scholar 

  33. A. Bergner, M. Dolg, W. Küchle, H. Stoll, H. Preuss, Mol. Phys. 80, 1431 (1993)

    Article  ADS  Google Scholar 

  34. J.H. Wood, A.M. Boring, Phys. Rev. B 18, 2701 (1978)

    Article  ADS  Google Scholar 

  35. D. Andrae, U. Haeussermann, M. Dolg, H. Stoll, H. Preuss, Theor. Chim. Acta 77, 123 (1990)

    Article  Google Scholar 

  36. Institute for Theoretical Chemistry, http://www.theochem.uni-stuttgart.de/pseudopotentials/index.en.html

  37. P.J. Stephens, F.J. Devlin, C.F. Chabalowski, M.J. Frisch, J. Phys. Chem. 98, 11623 (1994)

    Article  Google Scholar 

  38. K.A. Gingerich, D.L. Cocke, J. Chem. Soc. Chem. Commun. 1, 536 (1972)

    Article  Google Scholar 

  39. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery Jr., T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez, J.A. Pople, Gaussian 03, Revision D.1 (Gaussian, Inc., Wallingford, 2005)

Download references

Author information

Authors and Affiliations

Authors

Corresponding author

Correspondence to Marcela R. Beltrán.

Additional information

ISSPIC 16 — 16th International Symposium on Small Particles and Inorganic Clusters, edited by Kristiaan Temst, Margriet J. Van Bael, Ewald Janssens, H.-G. Boyen and Françoise Remacle.

Rights and permissions

Reprints and permissions

About this article

Cite this article

Beltrán, M.R., Buendía Zamudio, F., Chauhan, V. et al. Ab initio and anion photoelectron studies of Rhn (n = 1 − 9) clusters. Eur. Phys. J. D 67, 63 (2013). https://doi.org/10.1140/epjd/e2013-30547-2

Download citation

  • Received:

  • Revised:

  • Published:

  • DOI: https://doi.org/10.1140/epjd/e2013-30547-2

Keywords

Navigation