Charge density distribution in a metallaphosphane

Angewandte Chemie - International Edition

Volumn 49, Issue 13, 2010, Pages 2422-2426

  Henn, Julian ^a   Meindl, Kathrin ^a   Oechsner, Andreas ^b   Schwab, Gerald ^a   Koritsanszky, Tibor ^c   Stalke, Dietmar ^a  

^a UNIVERSITY OF GÖTTINGEN   (Germany)

^b UNIVERSITY OF WÜRZBURG   (Germany)

^c MIDDLE TENNESSEE STATE UNIVERSITY   (United States)

Author keywords

Aluminum; Computational chemistry; Donor acceptor systems; Electron density; Phosphorus

Indexed keywords

ALUMINUM; CARRIER CONCENTRATION; COMPUTATIONAL CHEMISTRY; PHOSPHORUS; TUNGSTEN COMPOUNDS;

CHARGE DENSITY DISTRIBUTIONS; DINUCLEAR COMPLEX; DONOR-ACCEPTOR SYSTEM; FOUR ELECTRONS; LONE PAIR; PHOSPHORUS ATOM;

ATOMS;

EID: 77952880663     PISSN: 14337851     EISSN: 15213773     Source Type: Journal    
DOI: 10.1002/anie.200905470     Document Type: Article

References (65)

1. B. Cornils, WA. Herrmann, I.T. Horváth, W Leitner, S. Mecking, H. Olivier-Bourbigou, D. Vogt, Multiphase Homogeneous Catalysis, Wiley-VCH, Weinheim, 2005.
2. - diorganophosphanides to at least a dinuclear metallic array, of which 2217 are transition metal complexes.
3. a) H. Werner, Angew. Chem. 2004, 116, 956-972;
4. Angew. Chem. Int. Ed. 2004, 45, 938-954.
5. a) A. Albinati, F. Lianza, M. Pasquali, M. Sommovigo, P. Leoni, P. S. Pregosin, H. Rüegger, Inorg. Chem. 1991, 30, 4690-4692;
6. b) P. Leoni, M. Pasquali, M. Sommovigo, F. Laschi, P. Zanello, A. Albinati, F. Lianza, P. S. Pregosin, H. Rüegger, Organometallics 1993, 12, 1702-1713.
7. a) P. H. M. Budzelaar, P. W. N. M. van Leeuwen, C. F. Roobeek, A. G. Orpen, Organometallics 1992, 11, 23-25;
8. b) T. Murahashi, T. Otani, T. Okuno, H. Kurosawa, Angew. Chem. 2000, 112, 547-550;
9. Angew. Chem. Int. Ed. 2000, 39, 537-540.
10. a) A. L. Balch, B. J. Davis, M. M. Olmstead, J. Am. Chem. Soc. 1990, 112, 8592-8593;
11. b) A. L. Balch, B. J. Davis, M. M. Olmstead, Inorg. Chem. 1993, 32, 3937-3942.
12. a) M. Sauthier, B. Le Guennic, V. Deborde, L. Toupet, J.-F. Halet, R. Réau, Angew. Chem. 2001, 113, 234-237;
13. Angew. Chem. Int. Ed. 2001, 40, 228-231;
14. b) F. Leca, M. Sauthier, V. Deborde, L. Toupet, R. Réau, Chem. Eur. J. 2003, 9, 3785-3795.
15. a) T. Pechmann, C. D. Brandt, H. Werner, Angew. Chem. 2000, 112, 4069-4072;
16. Angew. Chem Int Ed 2000, 39, 3909-3911;
17. b) T. Pechmann, C. D. Brandt, H. Werner, Chem. Eur. J. 2004, 10, 728-736.
18. A. Steiner, D. Stalke, J. Chem. Soc. Chem. Commun. 1993, 444-446.
19. F. Baier, Z. Fei, H. Gornitzka, A. Murso, S. Neufeld, M. Pfeiffer, I. Rüdenauer, A. Steiner, T. Stey, D. Stalke, J. Organomet. Chem. 2002, 661, 111-121.
20. a) H. Gornitzka, D. Stalke, Angew. Chem. 1994, 106, 695-698;
21. Angew. Chem. Int. Ed. Engl. 1994, 33, 693-695;
22. b) H. Gornitzka, D. Stalke, Organometallics 1994, 13, 4398-4405.
23. H. Gornitzka, D. Stalke, Eur. J. Inorg. Chem. 1998, 311-317.
24. S. Wingerter, M. Pfeiffer, A. Murso, C. Lustig, T. Stey, V. Chandrasekhar, D. Stalke, J. Am. Chem. Soc. 2001, 123, 1381-1388.
25. a) M. Pfeiffer, F. Baier, T. Stey, D. Leusser, D. Stalke, B. Engels, D. Moigno, W Kiefer, J. Mol. Model. 2000, 6, 299-311;
26. b) M. Pfeiffer, A. Murso, L. Mahalakshmi, D. Moigno, W. Kiefer, D. Stalke, Eur. J. Inorg. Chem. 2002, 3222-3234.
27. M. Pfeiffer, T. Stey, H. Jehle, B. Klüpfel, W. Malisch, V. Chandrasekhar, D Stalke, Chem. Commun. 2001, 337-338.
28. Gas-phase calculations. All frequencies are positive. Topological analyses were performed with AIM2000 and integration of atomic basins with DGRID-4.2 and BASIN-4.2.
29. N. K. Hansen, P. Coppens, Acta Crystallogr. Sect. A 1978, 34, 909-921.
30. A. Volkov, P. Macchi, L. J. Farrugia, C. Gatti, P. R. Mallinson, T. Richter, T. Koritsanszky, XD2006 - A Computer Program Package for Multipole Refinement, Topological Analysis of Charge Densities and Evaluation of Intermolecular Energies from Experimental and Theoretical Structure Factors, 2006.
31. a) A. D. Becke, J. Chem. Phys 1993, 98, 1372-1377;
32. b) C. Lee, W. Yang, R. G. Parr, Phys Rev. B 1988, 37, 785-789;
33. c) F. Weigend, R. Ahlrichs, Phys. Chem. Chem. Phys. 2005, 7, 3297-3305;
34. d)R. Ahlrichs, M. Bär, M. Häser, H. Horn, C. Kölmel, Chem. Phys. Lett. 1989, 162, 165-169;
35. e) M. Häser, R. Ahlrichs, J. Comput. Chem. 1989, 10, 104-111;
36. f) O. Treutler, R. Ahlrichs, J. Chem. Phys. 1995, 102, 346-354;
37. g) K. Eichkorn, F. Weigend, O. Treutler, R. Ahlrichs, Theor. Chem. Acc. 1997, 97, 119-124;
38. h) M. von Arnim, R. Ahlrichs, J. Chem. Phys. 1999, 111, 9183-9190.
39. F. Biegler-König, J. Schönbohm, D. Bayles, J. Comput. Chem. 2001, 22, 545-559.
40. R. F. W. Bader, Atoms in Molecules: A Quantum Theory, Oxford University Press, Oxford, 1990.
41. J. Henn, D. Ilge, D. Leusser, D. Stalke, B. Engels, J. Phys. Chem. A 2004, 108, 9442-9452.
42. N. Kocher, D. Leusser, A. Murso, D. Stalke, Chem. Eur. J. 2004, 10, 3622-3631.
43. A. J. Ashe III, Top. Curr. Chem 1982, 105, 125-155.
44. J. F. Nixon, Chem. Rev. 1988, 88, 1327-1362.
45. M. Kohout, DGrid/Basin, v 4.2, Radebeul, 2007.
46. a) P. R. Mallinson, T. Koritsanszky, E. Elkaim, N. Li, P. Coppens, Acta Crystallogr. Sect. A 1988, 44, 336-342;
47. b) J. Schefer, D. Schwarzenbach, P. Fischer, T. Koetzle, F. K. Larsen, S. Haussühl, M. Rüdlinger, G. Mclntyre, H. Birkedal, H.-B. Bürgi, Acta Crystallogr. Sect. B 1998, 54, 121-128;
48. c) E. A. Zhurova, Y. Ivanov, V. Zavodnik, V. Tsirelson, Acta Crystallogr. Sect B 2000, 56, 594-600;
49. d) F. Haarmann, H. Jacobs, M. Reehuis, A. Loose, Acta Crystallogr. Sect. B 2000, 56, 988-992.
50. a) K. Meindl, J. Henn, Acta Crystallogr. Sect. A 2008, 64, 404-418;
51. b) K. Meindl, J. Henn, N. Kocher, D. Leusser, K. A. Zachariasse, G. M. Sheldrick, T. Koritsanszky, D. Stalke, J. Phys. Chem. A 2009, 113, 9684-9691.
52. a) T. Stey, J. Henn, D. Stalke, Chem. Commun. 2007, 413-415;
53. b) T. Stey, M. Pfeiffer, J. Henn, S. K. Pandey, D. Stalke, Chem. Eur. J. 2007, 13, 3636-3642.
54. U. Vogel, K.-C. Schwan, M. Scheer, Eur. J. Inorg. Chem. 2004, 2062-2065.
55. B. Hoge, C. Thösen, T. Herrmann, I. Pantenburg, Inorg. Chem. 2003, 42, 3633-3641.
56. A. Steiner, D. Stalke, Organometallics 1995, 14, 2422-2429.
57. a) G. Becker, H. P. Beck, Z. Anorg. Allg. Chem. 1977, 430, 77-90;
58. b) G. Becker, W Becker, M. Schmidt, W. Schwarz, M. Westerhausen, Z. Anorg. Allg. Chem. 1991, 605, 7-23;
59. c) G. Becker, M. Schmidt, W. Schwarz, M. Westerhausen, Z. Anorg. Allg. Chem. 1992, 608, 33-42.
60. a) D. Stalke, Chem. Soc. Rev. 1998, 27, 171-178;
61. b) T. Kottke, R. J. Lagow, D. Stalke, J. Appl. Crystallogr. 1996, 29, 465-468;
62. c) T. Kottke, D. Stalke, J. Appl. Crystallogr. 1993, 26, 615-619.
63. Bruker AXS Inc., SAINT, v 7.23 A, Madison (WI), USA, 2006.
64. G. M. Sheldrick, SADABS, v 2006/2, Göttingen, 2006.
65. G. M. Sheldrick, Acta Crystallogr. Sect. A 2008, 64, 112-122.