Trends in ns2 np0 [M(CO)]q+ complexes: From germanium to element 114 (Uuq)

Chemical Physics Letters

Volumn 469, Issue 1-3, 2009, Pages 38-42

  Gourlaouen, C ^a   Parisel, O ^b,c   Piquemal, J P ^b,c  

^a INSTITUTE OF CHEMICAL RESEARCH OF CATALONIA ICIQ   (Spain)

^b SORBONNE UNIVERSITÉ   (France)

^c LABORATOIRE DE CHIMIE THÉORIQUE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON MONOXIDE; POSITIVE IONS;

DICATION; ENERGY DECOMPOSITION ANALYSIS (EDA); GEOMETRY OPTIMIZATIONS; INTERACTION ENERGIES; METAL CATIONS;

GERMANIUM;

EID: 58549083165     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2008.12.040     Document Type: Article

References (50)

1. Hashmi A.S.K., and Rudolph M. Chem. Soc. Rev. 37 (2008) 1766
2. Hutchings G.J., Brust M., and Schmidbaur H. Chem. Soc. Rev. 37 (2008) 1759
3. Gorin D.J., and Toste F.D. Nature 446 (2007) 395
4. Pyykö P. Chem. Soc. Rev. 37 (2008) 1967
5. Gandon V., Lemière G., Hours A., Fensterbank L., and Malacria M. Ang. Chem. Int. Ed. 47 (2008) 7534
6. B.A. Hess (Ed.), Relativistic Effects in Heavy-Element Chemistry and Physics, Wiley, Chichester, 2003, and references therein.
7. Pyykö P., and Desclaux J.-P. Acc. Chem. Res. 12 (1979) 276
8. P. Schwerdtfeger (Ed.), Relativistic electronic structure theory, Elsevier, Amsterdam, 2004, and references therein.
9. Gourlaouen C., Piquemal J.-P., Saue T., and Parisel O. J. Comput. Chem. 27 (2006) 142
10. Schmidbaur H., Cronje S., Djordjevic B., and Schuster O. Chem. Phys. 311 (2005) 151
11. Schwerdtfeger P. Heteroat. Chem. 13 (2002) 578
12. M. Dupuis, A. Marquez, E.R. Davidson, Hondo 95.3, Quantum Chemistry Program Exchange (QCPE) Indiana University, Bloomington, IN 47405.
13. Lee C., Yang W., and Par R.G. Phys. Rev. B 37 (1988) 785
14. Becke A.D. J. Chem. Phys. 98 (1993) 5648
15. Gourlaouen C., Piquemal J.-P., and Parisel O. J. Chem. Phys. 124 (2006) 174311
16. Gourlaouen C., and Parisel O. Ang. Chem. Int. Ed. 46 (2007) 553
17. Gourlaouen C., and Parisel O. Ang. Chem. 119 (2007) 559
18. Benjelloun A.T., Daoudi A., and Chermette H. J. Chem. Phys. 121 (2004) 7207
19. Benjelloun A.T., Daoudi A., and Chermette H. Mol. Phys. 103 (2005) 317
20. Benjelloun A.T., Daoudi A., and Chermette H. J. Chem. Phys. 122 (2005) 154304
21. Hurley M.M., Pacios L.F., Christiansen P.A., Ross R.B., and Ermler W.C. J. Chem. Phys. 84 (1986) 6840
22. LaJohn L.A., Christiansen P.A., Ross R.B., Atashroo T., and Ermler W.C. J. Chem. Phys. 87 (1987) 2812
23. Nash C.S., Bursten B.E., and Ermler W.C. J. Chem. Phys. 106 (1997) 5133
24. Faegri K. Theor. Chem. Acc. 105 (2001) 252
25. Dirac, a relativistic ab initio electronic structure program, Release Dirac 04 (2004), written by H.J. Aa. Jensen, T. Saue, and L. Visscher with contributions from V. Bakken, E. Eliav, T. Enevoldsen, T. Fleig, O. Fossgaard, T. Helgaker, J. Laerdahl, C.V. Larsen, P. Norman, J. Olsen, M. Pernpointner, J.K. Pedersen, K. Ruud, P. Salek, J.N.P. van Stralen, J. Thyssen, O. Visser, and T. Winther. See URL: .
26. Saue T., and Helgaker T. J. Comput. Chem. 23 (2002) 814
27. Fossgaard O., Gropen O., Corral Valero M., and Saue T. J. Chem. Phys. 118 (2003) 10418
28. Visscher L., and Saue T. J. Chem. Phys. 113 (2000) 3996
29. Lévy-Leblond J.M. Commun. Math. Phys. 6 (1967) 286
30. H.M. Quiney, in: S. Wilson (Ed.), Handbook of Molecular Physics and Quantum Chemistry, vol. 2, 2003, p. 375.
31. Visscher L., and Dyall K.G. At. Data Nucl. Data Tabl. 67 (1997) 207
32. Bagus P.S., Hermann K., and Bauschlicher Jr. C.W. J. Chem. Phys. 80 (1984) 4378
33. Bagus P.S., Hermann K., and Bauschlicher Jr. C.W. J. Chem. Phys. 81 (1984) 1966
34. Bagus P.S., and Illas F. J. Chem. Phys. 96 (1992) 8962
35. Stevens W.J., and Fink W.H. Chem. Phys. Lett. 139 (1987) 15
36. Morokuma K. Acc. Chem. Res. 10 (1977) 294
37. Kitaura K., and Morokuma K. Int. J. Quant. Chem. 10 (1976) 325
38. Piquemal J.-P., Chelli R., Procacci P., and Gresh N. J. Phys. Chem. A 111 (2007) 8170
39. te Velde G., Bickelhaupt F.M., Baerends E.J., Van Gisbergen S.J.A., Fonseca Guerra C., Snijders J.G., and Ziegler T. J. Comput. Chem. 22 (2001) 931
40. Bickelhaupt F.M., and Baerends E.J. Rev. Comp. Chem. 15 (2000) 1
41. Ziegler T., and Rauk A. Inorg. Chem. 18 (1979) 1755 and references therein
42. Piquemal J.-P., Marquez A., Parisel O., and Giessner-Prettre C. J. Comput. Chem. 26 (2005) 1052
43. Morokuma K. J. Chem. Phys. 55 (1971) 1236
44. Gordon M.S., and Jensen J.H. In: von Ragué Schleyer P. (Ed). Encyclopaedia of Computational Chemistry vol. 5 (1998), John Wiley and Sons Ltd, Chichester 3198
45. Stevens W.J., and Fink W. Chem. Phys. Lett. 139 (1987) 15
46. Fonseca Guerra C., Snijders J.G., te Velde G., and Baerends E.J. Theor. Chem. Acc. 99 (1998) 391
47. ADF2007.01, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands, .
48. Diefenbach A., Bickelhaupt F.M., and Frenking G. J. Am. Chem. Soc. 122 (2000) 6449
49. Silvi B., and Savin A. Nature 371 (1994) 683
50. Piquemal J.-P., et al. Int. J. Quant. Chem. 108 (2008) 1951