Atomic and molecular properties of elements 112, 114, and 118

Journal of Physical Chemistry A

Volumn 109, Issue 15, 2005, Pages 3493-3500

  Nash, Clinton S ^a  

^a UNIVERSITY OF NEW ENGLAND   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC PROPERTIES; MOLECULAR PROPERTIES; PROTON AFFINITY; SPIN-ORBIT COMPUTING;

CHEMICAL BONDS; DISSOCIATION; ELECTRONIC STRUCTURE; ELECTRONS; IONIZATION; LEAD; MERCURY (METAL); MOLECULAR DYNAMICS; PROTONS; RADON; SPECTROSCOPIC ANALYSIS; TRANSITION METALS;

CHEMICAL ELEMENTS;

EID: 18144415467     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp050736o     Document Type: Article

References (61)

1. Pitzer, K. S. J. Chem. Phys. 1975, 63, 1032.
2. For example: (a) The Chemistry of Superheavy Elements; Schädel, M., Ed.; Kluwer Academic Publishers: Norwell, MA, 2003.
3. Relativistic Effects in Heavy Element Chemistry and Physics; Hess, B. A., Ed.; John Wiley & Sons: New York, 2003.
4. (b) Grant, I. P.; Pyper, N. C. Nature 1977, 265,715.
5. Pyper, N. C.; Grant, I. P. Proc. R. Soc. London, Ser. A 1981, 376, 483.
6. Fricke, B. Struct. Bonding 1975, 21, 89.
7. (e) Pyykltö, P.; Desclaux, J. P. Nature 1977, 266, 336.
8. (f) Pyper, N. C. Philos. Trans. R. Soc. London. Ser. A.1982, 304, 567.
9. Han, Y.-K.; Bae, C.; Son, S.-K.; Lee, Y. S. J. Chem. Phys. 2000, 112, 2684 - 2690.
10. Desclaux, J. P. At. Data Nucl. Data Tables 1973, 12, 311.
11. (a) Oganessian, Y. T.; Utyonkov, V. K.; Lobanov, Y. V.; Abdullin, F. S.; Polyakov, A. N.; Shirokovsky, I. V.; Tsyganov, Y. S.; Gulbekian, G. C.; Bogoolov, S. L.; Gikal, B. N.; Mezentsev, A. N.; Ilev, S.; Subbotin, V. G.; Skkhov, A. M.; Ivanov, O. V.; Buklanov, G. V.; Subotic, K.; Itkis, M. G.; Moody, K. J.; Wild, J. F.; Stoyer, N. J.; Stoyer, M. A.; Lougheed, R. W.; Laue, C. A.; Karelin, Y. A.; et al. Phys. Rev. C: Nucl. Phys. 2001, 6301, 1301.
12. (b) Oganessian, Y. T.; Utyonkov, V. K.; Lobanov, Y. V.; Abdullin, F. S.; Polyakov, A. N.; Shirokovsky, I. V.; Tsyganov, Y. S.; Gulbekian, G. C.; Bogoolov, S. L.; Mezentsev, A. N.; Iliev, S.; Subbotin, V. G.; Sukhov, A. M.; Voinov, A. A.; Buklanov, G. V.; Subotic, K.; Zagrebaev, V. I.; Itkis, M. G.; Patin, J. B.; Moody, K. J.; Moody, K. J.; Wild, J. F.; Stoyer, M. A.; Stoyer, N. J.; Shaughnessy, D. A.; Kenneally, J. M.: et al. Phys. Rev. C: Nucl. Phys. 2004, 6902, 1601.
13. Yakushev, A. B.; Zvara, I.; Oganessian, Y. T.; Belozerov, A. V.; Dmitriev, S. N.; Eichler, B.; Hubener, S.; Sokol, E. A.; Turler, A.; Yeremin, A. V.; Buklanov, G. V.; Chelnokov, M. L.; Chepigin, V. I.; Ghoshkov, V. A.; Gnlyaev, A. V.; Lebedev, V. Y.; Malyshev, O. N.; Popeko, A. G.; Soverna, S.; Szeglowski, A.; Timokhin, S. N.; Tretyakova, S. P.; Vasko, V. M.; Itkis, M. G. Nucl. Phys. A 2004, 734, 204-207.
14. Gaggeler, H. W.; Brachte, W.; Dullmann, C. E.; Dressier, R.; Eberhardt, K.; Eichler, B.; Eichler, R.; Folden, C. M.; Ginter, T. N.; Glaus, F.; Gregorich, K. E.; Haensslcr, F.; Hoffman, D. C.; Jager, E.; Jost, D. T.; Kirbach, U. W.; Kratz, J. V.; Nitsche, H.; Patin, J. B.; Pershina, V.; Piguet, D.; Qin, Z.; Reith, U.; Schädel, M.; Schimpf, E.; et al. Nucl. Phys. A 2004, 734, 208-212.
15. (a) Schädel, M. Acta Phys. Pol., B 2003, 34, 1701.
16. (b) Hoffman, D. C.; Lee, D. M. J. Chem. Educ. 1999, 76, 332-347.
17. Hoffman, D. C. Radiochim. Acta 1996, 72, 1-6.
18. Pyykkö, P. Chem. Rev. 1988, 88, 563-594.
19. (a) Visscher, L.; Visser, O.; Aerts, P. J. C.; Merenga, H.; Nieuwpoort, W. C. Comput. Phys. Commun. 1994, 81, 120-144.
20. (b) Visscher, L.; de Jong, W. A.; Visser, O.; Aerts, P. J. C.; Merenga, H.; Nieuwpoort, W. C. Methods and Techniques for Computational Chemistry, METECC-5; Clementi, E., Corongiu, C., Eds.; STEP: Cagliari, 1995; pp 169-218.
21. Visscher, L.; Dyall, K. G.; Lee, T. J. Int. J. Quantum Chem.: Quantum Chem. Symp. 1996, 29, 411.
22. Visscher, L.; Dyall, K. G.; Lee, T. J. J. Chem. Phys. 1996, 105, 8769.
23. (a) Nash, C. S.; Bursten, B. E.; Ermler, W. C. J. Chem. Phys. 1997, 106, 5133.
24. (b) Nash, C. S.; Bursten, B. E.; Ermler, W. C. J. Chem. Phys. 1999, 111, 2347.
25. Nash, C. S.; Bursten, B. E. J. Phys. Chem. A 1999, 103, 402-410.
26. EMSL basis set library: http://www.emsl.pnl.gov/forms/basisfonn.html. The metallic Cartesian basis functions share exponents for s and d primitives (6sd) and include the p combination of C functions (2fp).
27. Lide, D. R., Ed. Chemical Rubber Company Handbook of Chemistry and Physics, 79th ed.; CRC Press: Boca Raton, FL, 1998.
28. Sundholm, D. "VIBROT a Program Package for Solving the Rovibational Averaging Problem for Diatomic Molecules"; GNU General Public License, 2001 ; available at http://www.criem.helsinki.fi/~sundholm/software/GPL/.
29. Eliav, E.; Kaldor, U.; Ishikawa, Y. Phys. Rev. A 1995, 52, 2765.
30. Seth, M.; Schwerdtfeger, P.; Dolg, M. J. Chem. Phys. 1997, 106, 3623.
31. Peterson, K. A.; Figgen, D.; Goll, E.; Stoll, H.; Dolg, M. J. Chem. Phys. 2003, 119, 11113-11123.
32. Mosyagin, N. S.; Titov, A. V.; Eliav, E.; Kaldor, U. J. Chem. Phys. 2001, 115, 2007-2013.
33. Kunz, C. F.; Hättig, C.; Hess, B. A. Mol. Phys. 1996, 89, 131.
34. (a) Koperski, J.; Atkinson, J. B.; Krause, L. Chem. Phys. Lett. 1994, 219, 161-168.
35. (b) Koperski, J.; Atkinson, J. B.; Krause, L. J. Mot. Spectrosc. 1997, 184, 300-308.
36. van Zee, R. D.; Zwier, T. S.; Blankespoor, S. C. J. Chem. Phys. 1988, 88, 4650.
37. (a) Dolg, M.; Flad, H.-J. J. Phys. Chem. 1996, 100, 6147.
38. (b) Munro, L. J.; Jordan, K. D.; Johnson, J. K. J. Chem. Phys. 2001, 1114, 5545.
39. Schwerdtfeger, P.; Wesendrup, R.; Moyano, G. E.; Sadlej, A. J.; Greif, J.; Hensel, F. J. Chem. Phys. 2001, 115, 7401.
40. van Mourik, T.; Wilson, A. K.; Peterson, K. A.; Woon, D. E.; Dunning, T. H. Adv. Quantum Chem. 1999, 31, 105.
41. Fricke, B., private communication.
42. (a) Pershina, V.; Bastug, T.; Sarpe-Tudoran, C.; Anton, J.; Fricke, B. Nucl. Phys. A 2004, 734, 200-203.
43. (b) Pershina, V.; Bastug, T.; Jacob, T.; Fricke, B.; Varga, S. Chem. Phys. Lett. 2002, 565, 176-183.
44. Landau, A.; Eliav, E.; Ishikawa, Y.; Kaldor, U. J. Chem. Phys. 2001, 114, 2977-2980.
45. (a) Seth, M.; Faegri, K.; Schwerdtfeger, P. Angew. Chem., Int Ed. 1998, 37, 2493-96.
46. (b) Schwerdtfeger, P.; Seth, M. J. Nucl. Radiochem. Sci. 2002, 3, 133.
47. Huber, K. P.; Herzberg, G. Molecular Spectra and Molecular Structure IV: Constants of Diatomic Molecules; van Nostrand: New York, 1979.
48. Liu, W.; van Wüllen, C. Adv. Quantum Chem. 2001, 39, 325-355.
49. Nash, C., unpublished results.
50. Valiron, P.; Mayer, I. Chem. Phys. Lett. 1997, 275, 46.
51. Eichler, R.; Eichler, B. Report from the Paul Scherrer Institute, University of Bern; http://lch.web.psi.ch/pdf/anrep03/06.pdf.
52. (a) Eliav, E.; Kaldor, U.; Ishikawa, Y.; Pyykkö, P. Phys. Rev. Lett. 1996, 77, 5350-5352.
53. (b) Goidenko, I.; Labzowsky, L.; Eliav, E.; Kaldor, U.; Pyykkö, P. Phys. Rev. A 2003, 6702, 102.
54. (a) Han, Y.-K.; Cheolbeom, B.; Lee, Y. S. Int. J. Quantum Chem. 1999, 72, 139-143.
55. (b) Runeberg, N.; Pyykkö, P. Int. J. Quantum Chem. 1998, 66, 131.
56. Politzer, P.; Jin, P.; Murray, J. S. J. Chem. Phys. 2002, 117, 2977-2980.
57. Lim, I. S.; Laerdahl, J. K.; Schwerdtfeger, P. J. Chem. Phys. 2002, 116, 172-178.
58. Schwerdtfeger, P.; Silberbach, H.; Miehlich, B. J. Chem. Phys. 1988, 90, 762-766.
59. (a) Tang, K. T.; Toennies, J. P. J. Chem. Phys. 2003, 118, 4976-4983.
60. (b) Hättig, C; Hess, B. A. J. Phys. Chem. 1996, 700, 6243-6248.
61. Kellö, V.; Sadlej, A. Theor. Chim. Acta 1995, 84, 353.