Chemical Structures from the Analysis of Domain-Averaged Fermi Holes. The Nature of Ga-Ga Bonding in PhGaGaPh2- and (PhGaGaPh)Na2

Organometallics

Volumn 23, Issue 8, 2004, Pages 1790-1796

  Ponec, Robert ^a   Yuzhakov, Gleb ^a   Gironés, Xavier ^b   Frenking, Gernot ^c  

^a INSTITUTE OF CHEMICAL PROCESS FUNDAMENTALS   (Czech Republic)

^b ASTRAZENECA R AND D   (Sweden)

^c PHILIPPS UNIVERSITY MARBURG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CARRIER CONCENTRATION; CHEMICAL BONDS; DECOMPOSITION; EIGENVALUES AND EIGENFUNCTIONS; ELECTRONS; OPTIMIZATION; SODIUM; SPECTROSCOPIC ANALYSIS; STRUCTURE (COMPOSITION); X RAYS;

ENERGY DECOMPOSITION; FERMI HOLES; TRIPLE BOND;

GALLIUM;

EID: 2342441685     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om0344067     Document Type: Article

References (54)

1. Power, P. P. J. Chem. Soc., Dalton Trans. 1998, 2939.
2. Power, P. P. Chem. Rev. 1999, 99, 3463.
3. Weidenbruch, M. J. Organomet. Chem. 2002, 646, 39.
4. Uhl, W. Coord. Chem. Rev. 1997, 163, 1.
5. Uhl, W. Rev. Inorg. Chem. 1998, 18, 239.
6. (a) Linti, G.; Schnöckel, H. Coord. Chem. Rev. 2000, 206-207, 285.
7. (b) Schnöckel, H.; Schnepf, A. Adv. Organomet. Chem. 2001, 47, 235.
8. Robinson, G. H. Acc. Chem. Rev. 1999, 32, 773.
9. Weidenbruch, M. Angew. Chem. 2003, 115, 2322; Angew. Chem., Int. Ed. 2003, 42, 2222.
10. Weidenbruch, M. Angew. Chem. 2003, 115, 2322; Angew. Chem., Int. Ed. 2003, 42, 2222.
11. Su, J.; Li, X. W.; Crittendon, R. C.; Campana, C. F.; Robinson, G. H. Organometallics 1997, 16, 4511.
12. Cotton, F. A.; Feng, X. Organometallics 1998, 17, 128.
13. (a) Uddin, J.; Boehme, C.; Frenking, G. Organometallics 2000, 19, 571.
14. (b) Boehme, C.; Frenking, G. Chem. Eur. J. 1999, 7, 2184.
15. (a) Uddin, J.; Frenking, G. J. Am. Chem. Soc. 2001, 123, 1683.
16. (b) Frenking, G.; Wichmann, K.; Fröhlich, N.; Loschen, C.; Lein, M.; Frunzke, J.; Rayón, V. M. Coord. Chem. Rev. 2003, 238-239, 5.
17. Su, J.; Li, X. W.; Crittendon, Ch.; Robinson, G. H. J. Am. Chem. Soc. 1997, 119, 5471.
18. (a) Xie, Y.; Grev, R. S.; Gu, J.; Schaefer, H. F., III; Schleyer, P. v. R.; Su, J.; Li, X. W.; Robinson, G. H. J. Am. Chem. Soc. 1998, 120, 3778.
19. (b) Xie, Y.; Schaefer, H. F., III; Robinson, G. H. Chem. Phys. Lett. 2000, 317, 174.
20. Klinkhammer, K. W. Angew. Chem. 1997, 109, 2414; Angew. Chem., Int. Ed. 1997, 21, 36.
21. Klinkhammer, K. W. Angew. Chem. 1997, 109, 2414; Angew. Chem., Int. Ed. 1997, 21, 36.
22. (a) Hardman, N. J.; Wright, R. J.; Phillips, A. D.; Power, P. P. J. Am. Chem. Soc. 2003, 125, 2667.
23. (b) Allen, T. L.; Fink, W. H.; Power, P. P. Dalton 2000, 407.
24. (c) Olmstead, M. M.; Simons, R. S.; Power, P. P. J. Am. Chem. Soc. 1997, 119, 11705.
25. (d) Twamley, B.; Power, P. P. Angew. Chem. 2000, 112, 3643; Angew. Chem., Int. Ed. 2000, 39, 3500.
26. (d) Twamley, B.; Power, P. P. Angew. Chem. 2000, 112, 3643; Angew. Chem., Int. Ed. 2000, 39, 3500.
27. (a) Grunenberg, J.; Goldberg, N. J. Am. Chem. Soc. 2000, 122, 6045.
28. (b) Takagi, N.; Schmidt, M. W.; Nagase, S. Organometallics 2001, 20, 1646.
29. (c) Himmel, H. J.; Schnöckel. H. Chem. Eur. J. 2002, 8, 2397.
30. Cotton, P. A.; Cowley, A. H.; Feng, X. J. Am. Chem. Soc. 1998, 120, 1795.
31. Molina, J. M.; Dobado, J. A.; Herald, G. L.; Bader, R. F. W.; Sundberg, M. R. Theor. Chem. Acta 2001, 105, 365.
32. Ponec, R. J. Math. Chem. 1997, 21, 323.
33. Ponec, R. J. Math. Chem. 1998, 23, 85.
34. Ponec, R.; Duben, A. J. Comput. Chem. 1999, 8, 760.
35. Ponec, R.; Roithová, J. Theor. Chem. Acta 2001, 105, 393.
36. Ponec, R.; Gironés X. J. Phys. Chem. A 2002, 106, 9606.
37. Ponec, R.; Roithová, J.; Gironés, X.; Lain, L.; Torre, A.; Bochicchio, R. J. Phys. Chem. A 2002 106, 1019.
38. Ponec, R.; Yuzhakov, G.; Carbó-Dorca, R. J. Comput. Chem. 2003, 24, 1829.
39. Bader, R. F. W. Atoms in Molecules. A Quantum Theory; Clarendon Press: Oxford, U.K., 1994.
40. Cioslowski, J. Int. J. Quantum Chem. 1990, S24, 15.
41. (a) Becke, A. D. J. Chem. Phys. 1992, 96, 2155,
42. (b) J. Chem. Phys. 1993, 98, 5648.
43. (c) Lee, H.; Yang, W.; Parr, R. G. Phys. Rev. 1988, 337, 785.
44. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T.; Petersson, G. A.; Montgomery, J. A.; Raghavachari, K.; Al-Laham, M. A.; Zakrzewski, V. G.; Ortiz, J. V.; Foresman, J. B.; Cioslowski, J.; Stefanov, B. B.; Nanayakkara, A.; Challacombe, M.; Peng, C. Y.; Ayala, P. Y.; Chen, W.; Wong, M. W.; Andres, J. L.; Replogle, E. S.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Binkley, J. S.; Defrees, D. J.; Baker, J.; Stewart, J. P.; Head-Gordon, M.; Gonzalez, C.; Pople, J. A. Gaussian 94, Revision E.1; Gaussian, Inc.: Pittsburgh, PA, 1995.
45. Gironés, X.; Ponec, R.; Roithová, J. Program WFermi, v. 1.1; Prague, Czech Republic, 2000.
46. Wiberg, K. B. Tetrahedron 1988, 24, 1083.
47. Mayer, I. Chem. Phys. Lett. 1983, 97, 270.
48. Mayer, I. Int. J. Quantum Chem. 1986, 29, 73, 477.
49. Ponec, R. Strnad, M. Int. J. Quantum Chem. 1994, 50, 43.
50. Ponec, R. Croat. Chem. Acta 1994, 67, 55.
51. Ponec, R.; Uhlik, F. THEOCHEM 1997, 391, 159.
52. Chen, Y.; Hartmann, M.; Diedenhofen, D.; Frenking, G. Angew. Chem. 2001, 113, 2107; Angew. Chem., Int. Ed. 2001, 40, 2051.
53. Chen, Y.; Hartmann, M.; Diedenhofen, D.; Frenking, G. Angew. Chem. 2001, 113, 2107; Angew. Chem., Int. Ed. 2001, 40, 2051.
54. Pu, L.; Twamley, B.; Power. P. P. J. Am. Chem. Soc. 2000, 122, 3524.