Prediction of the adsorption behavior of elements 112 and 114 on inert surfaces from ab initio Dirac-Coulomb atomic calculations

Journal of Chemical Physics

Volumn 128, Issue 2, 2008, Pages

  Pershina, V ^a   Borschevsky, A ^b   Eliav, E ^b   Kaldor, U ^b  

^a GSI HELMHOLTZZENTRUM FÜR SCHWERIONENFORSCHUNG GMBH   (Germany)

^b TEL AVIV UNIVERSITY   (Israel)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; CHEMICAL REACTIVITY; ENTHALPY; POLARIZATION; POLYTETRAFLUOROETHYLENES; VAN DER WAALS FORCES;

PHYSISORPTION MODEL; RELATIVISTIC STABILIZATION; VAN DER WAALS RADIUS;

COULOMB INTERACTIONS;

EID: 38349076462     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2814242     Document Type: Article

References (37)

1. Yu. Ts. Oganessian, V. K. Utyonkov, Yu. V. Lobanov, F. Sh. Abdulin, A. N. Polyakov, R. N. Sagaidak, I. V. Shirokovsky, Yu. Ts. Tsyganov, A. A. Voinov, G. G. Gulbekian, S. L. Bogomolov, B. N. Gikal, A. N. Mezentsev, S. Iliev, V. G. Subbotin, A. M. Sukhov, K. Subotnic, V. I. Zagrebaev, G. K. Vostokin, and M. G. Itkis, Phys. Rev. C PRVCAN 0556-2813 10.1103/PhysRevC.74.044602 74, 044602 (2006).
2. H. W. Gäggeler and A. Türler, Chemistry of Superheavy Elements, edited by, M. Schädel, (Kluwer, Dordrecht, 2003).
3. R. Eichler, N. V. Aksenov, A. V. Belozerov, G. A. Bozhikov, V. I. Chepigin, R. Dressler, S. N. Dmitriev, H. W. Gäggeler, V. A. Gorshkov, F. Haenssler, M. G. Itkis, V. Ya. Lebedev, A. Laube, O. N. Malyshev, Yu. Ts. Oganessian, O. V. Petrushkin, D. Piguet, P. Rasmussen, S. V. Shishkin, A. V. Shutov, A. I. Svirikhin, E. E. Tereshatov, G. K. Vostokin, M. Wegrzecki, and A. V. Yeremin, Nature NATUAS 0028-0836 10.1038/nature05761 447, 72 (2007).
4. V. Pershina, T. Bastug, B. Fricke, T. Jacob, and S. Varga, Chem. Phys. Lett. CHPLBC 0009-2614 265, 176 (2002); V. Pershina, T. Bastug, J. Anton, and B. Fricke, Nucl. Phys. A NUPABL 0375-9474 787, 381c (2007).
5. V. Pershina and T. Bastug, Chem. Phys. CMPHC2 0301-0104 10.1016/j.chemphys.2004.09.030 311, 139 (2005).
6. C. Sarpe-Tudoran, J. Anton, B. Fricke, and V. Pershina, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2727447 126, 174702 (2007).
7. J.-P. Niklaus, R. Eichler, S. Soverna, and H. W. Häggeler, PSI Annual Report, 2002 (unpublished), p. 8.
8. R. Eichler (private communication).
9. B. Fricke, Struct. Bonding (Berlin) STBGAG 0081-5993 21, 89 (1975).
10. B. Eichler, Kernenergie KERNAQ 0023-0642 10, 307 (1976).
11. V. Pershina, J. Anton, and B. Fricke, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2770712 127, 134310 (2007).
12. M. Seth, P. Schwerdtfeger, and M. Dolg, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.473437 106, 3623 (1997).
13. W. Liu, M. Dolg, and P. Schwerdtfeger (private communication).
14. V. Pershina, T. Bastug, B. Fricke, and S. Varga, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1379579 115, 792 (2001).
15. A. W. Adamson, Physical Chemistry of Surfaces (Wiley, New York, 1976), p. 317.
16. P. Pyykkö, Chem. Rev. (Washington, D.C.) CHREAY 0009-2665 10.1021/cr940396v 97, 597 (1997).
17. H. J. Aa. Jensen, T. Saue, L. Visscher, DIRAC, a relativistic ab initio electronic structure program, release DIRAC04.0 2004 (http://dirac.chem.sdu.dk).
18. K. Faegri, Theor. Chim. Acta TCHAAM 0040-5744 105, 252 (2001).
19. E. Eliav, U. Kaldor, and Y. Ishikawa, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.52.2765 52, 2765 (1995).
20. A. Landau, E. Eliav, Y. Ishikawa, and U. Kaldor, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1342763 114, 2977 (2001).
21. D. Goebel and U. Hohm, J. Phys. Chem. JPCHAX 0022-3654 10.1021/jp960231l 100, 7710 (1996).
22. CRC Handbook of Chemistry and Physics, 86th ed., edited by, D. R. Lide, (CRC, Boca Raton, 2005).
23. C. Nash, J. Phys. Chem. A JPCAFH 1089-5639 10.1021/jp050736o 109, 3493 (2005).
24. J. Anton, B. Fricke, and P. Schwerdtfeger, Chem. Phys. CMPHC2 0301-0104 10.1016/j.chemphys.2004.10.012 311, 97 (2005).
25. P. Schwerdtfeger, J. Li, and P. Pyykkö, Theor. Chim. Acta TCHAAM 0040-5744 10.1007/BF01113387 87, 313 (1994); C. F. Kunz, C. H. Höttig, and B. A. Hess, Mol. Phys. MOPHAM 0026-8976 10.1080/002689796174056 89, 139 (1996); M. Dolg and H.-J. Flad, J. Phys. Chem. JPCHAX 0022-3654 10.1021/jp952807x 100, 6147 (1996).
26. A. Bondi, J. Phys. Chem. JPCHAX 0022-3654 10.1021/j100785a001 68, 441 (1964).
27. R. D. Zee, S. C. Blankespoor, and T. S. Zweier, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.453777 88, 4650 (1988).
28. J. P. Desclaux, At. Data Nucl. Data Tables ADNDAT 0092-640X 10.1016/0092-640X(73)90020-X 12, 311 (1973).
29. K. P. Huber and G. Herzberg, Constants of Diatomic Molecules (van Nostrand Reinhold, New York, 1979).
30. R. Eichler (private comunication).
31. S. Soverna, R. Dressler, Ch. E. Düllmann, Radiochim. Acta RAACAP 0033-8230 10.1524/ract.93.1.1.58298 93, 1 (2005).
32. S. Soverna, " Attempt to chemically characterize element 112.," Ph.D. thesis, Universität Bern, 2004.
33. A. Yakushev (private communication) (the value deduced from measured Tads =150 °C, see A. B. Yakushev, G. V. Buklanov, M. L. Chelnokov, V. I. Chepigin, S. N. Dmitriev, V. A. Gorshkov, S. Hübener, V. Ya. Lebedev, O. N. Malyshev, and Yu. Ts. Oganessian, Radiochim. Acta RAACAP 0033-8230 10.1524/ract.2001.89.11-12.743 89, 743, 2001).
34. J. C. Slater, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1725697 41, 3199 (1964).
35. See http://www.tenntech.com for RvdW of Ge.
36. S. F. Diaz, J. F. Zhu, J. J. W. Harris, P. Goetsch, L. R. Merte, and C. T. Campbell, Surf. Sci. SUSCAS 0039-6028 598, 22 (2005).
37. W. Liu, C. van Wüllen, Y. K. Han, Y. J. Choi, and Y. S. Lee, Adv. Quantum Chem. AQCHA9 0065-3276 10.1016/S0065-3276(05)39019-8 39, 325 (2001).