Molecular alloys: Experimental and theoretical investigations on the substitution of zinc by cadmium and mercury in the homologous series [Mo(M′R)12] and [M(M′R)8] (M=Pd, Pt; M′=Zn, Cd, Hg)

Chemistry - A European Journal

Volumn 16, Issue 45, 2010, Pages 13372-13384

  Bollermann, Timo ^a   Cadenbach, Thomas ^a   Gemel, Christian ^a   Vona Hopffgarten, Moritz ^b   Frenking, Gernot ^b   Fischer, Roland A ^a  

^a RUHR UNIVERSITY BOCHUM   (Germany)

^b PHILIPPS UNIVERSITY MARBURG   (Germany)

Author keywords

bonding analysis; cadmium; cluster compounds; coordination compounds; zinc

Indexed keywords

ATOMS-IN-MOLECULES; BONDING ANALYSIS; BONDING SITUATION; CHEMICAL VALENCE; CLUSTER COMPOUNDS; COORDINATED COMPOUNDS; COORDINATION COMPOUNDS; DECOMPOSITION ANALYSIS; ELECTRON RULES; ELECTRON-PAIR; ELEMENTAL ANALYSIS; ENDOHEDRAL CLUSTERS; HOMOLOGOUS SERIES; LIGAND DONORS; METAL CORE; METAL PRECURSOR; MOLECULAR ALLOY; NATURAL ORBITALS; NMR SPECTROSCOPY; NOVEL MOLECULES; PENTAMETHYLCYCLOPENTADIENYL; QUANTUM-CHEMICAL CALCULATION; SINGLE CRYSTAL X-RAY DIFFRACTION; STRUCTURAL CHARACTERIZATION; THEORETICAL INVESTIGATIONS;

CADMIUM; CADMIUM ALLOYS; CHEMICAL COMPOUNDS; COMPLEXATION; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; LIGANDS; MERCURY (METAL); METAL ANALYSIS; METALS; MOLECULES; MOLYBDENUM; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PALLADIUM; PLATINUM; QUANTUM CHEMISTRY; SYNTHESIS (CHEMICAL); X RAY DIFFRACTION; X RAY DIFFRACTION ANALYSIS; ZINC;

CADMIUM COMPOUNDS;

EID: 78649848102     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.201001650     Document Type: Article

References (82)

1. S. Gonzalez-Gallardo, G. Prabusankar, T. Cadenbach, C. Gemel, M. vona Hopffgarten, G. Frenking, R. A. Fischer, Struct. Bonding (Berlin) 2010, 136, 147-188
2. P. W. Roesky, Dalton Trans. 2009, 1887-1893
3. H.-J. Himmel, G. Linti, Angew. Chem. 2008, 120, 6425-6427
4. Angew. Chem. Int. Ed. 2008, 47, 6326-6328
5. D. L. Kays, S. Aldridge, Struct. Bonding (Berlin) 2008, 130, 29-122
6. R. J. Baker, C. Jones, Coord. Chem. Rev. 2005, 249, 1857-1869
7. C. Gemel, T. Steinke, M. Cokoja, A. Kempter, R. A. Fischer, Eur. J. Inorg. Chem. 2004, 4161-4176
8. G. Linti, H. Schnöckel, Coord. Chem. Rev. 2000, 206-207, 285-319
9. R. A. Fischer, J. Weiss, Angew. Chem. 1999, 111, 3002-3022
10. Angew. Chem. Int. Ed. 1999, 38, 2830-2850.
11. T. Cadenbach, C. Gemel, R. A. Fischer, Angew. Chem. 2008, 120, 9286-9289
12. Angew. Chem. Int. Ed. 2008, 47, 9146-9149
13. T. Cadenbach, T. Bollermann, C. Gemel, I. Fernandez, M. vona Hopffgarten, G. Frenking, R. A. Fischer, Angew. Chem. 2008, 120, 9290-9295
14. Angew. Chem. Int. Ed. 2008, 47, 9150-9154
15. T. Cadenbach, T. Bollermann, C. Gemel, M. Tombul, I. Fernandez, M. vona Hopffgarten, G. Frenking, R. A. Fischer, J. Am. Chem. Soc. 2009, 131, 16063-16077.
16. T. F. Fässler, S. D. Hoffmann, Angew. Chem. 2004, 116, 6400-6406
17. Angew. Chem. Int. Ed. 2004, 43, 6242-6248.
18. M. J. Adrowski, W. R. Mason, Inorg. Chem. 1997, 36, 1443-1453, and references herein.
19. A. Looney, A. Saleh, Y. Zhang, G. Parkin, Inorg. Chem. 1994, 33, 1158-1164
20. H. Tang, M. Parvez, H. G. Richey, Jr., Organometallics 1996, 15, 5281-5283
21. H. Nöth, M. Thomann, Chem. Ber. 1995, 128, 923-927.
22. L. Arnberg, Acta Crystallogr. Sect. B 1980, 36, 527-532
23. H. Nowotny, E. Bauer, A. Stempfl, Monatsh. Chem. 1950, 81, 1164-1164
24. H. Nowotny, E. Bauer, A. Stempfl, Monatsh. Chem. 1952, 83, 221-236.
25. T. Yamaguchi, F. Yamazaki, T. Ito, J. Am. Chem. Soc. 1999, 121, 7405-7406.
26. J. Forniés, J. Gomez, E. Lalinde, M. T. Moreno, Inorg. Chem. 2001, 40, 5415-5419.
27. R. Faggiani, R. J. Gillespie, J. E. Vekris, Chem. Commun. 1986, 7, 517-518.
28. T. Steinke, C. Gemel, M. Winter, R. A. Fischer, Angew. Chem. 2002, 114, 4955-4957
29. Angew. Chem. Int. Ed. 2002, 41, 4761-4763.
30. S. Adam, A. Bauer, O. Timpe, U. Wild, G. Mestl, W. Bensch, R. Schlögl, Chem. Eur. J. 1998, 4, 1458-1469.
31. C. M. Fafard, C.-H. Chen, B. M. Foxman, O. V. Ozerov, Chem. Commun. 2007, 4465-4467.
32. D. dela Río, A. Galindo, I. Resa, E. Carmona, Angew. Chem. 2005, 117, 1270
33. Angew. Chem. Int. Ed. 2005, 44, 1244-1247
34. Z.-Z. Liu, W. Q. Tian, J.-K. Feng, G. Zhang, W.-Q. Li, Y.-H. Cui, C.-C. Sun, Eur. J. Inorg. Chem. 2006, 2808-2818
35. I. Resa, E. Carmona, E. Gutierrez-Puebla and A. Monge, Science 2004, 305, 1136-1138.
36. P. Braunstein, M. Knorr, M. Strampfer, A. DeCian, J. Fischer, Dalton Trans. 1994, 2, 117-134
37. S. Seebald, B. Mayer, U. Schubert, Inorg. Chem. 1995, 34, 5285-5288.
38. R. F. W. Bader, Atoms in Molecules: A Quantum Theory, Oxford University Press, New York, 1990.
39. K. Morokuma, J. Chem. Phys. 1971, 55, 1236-1244
40. T. Ziegler, A. Rauk, Theor. Chim. Acta 1977, 46, 1-10.
41. M. P. Mitoraj, A. Michalak, T. Ziegler, J. Chem. Theory Comput. 2009, 5, 962-975.
42. P. Pyykkö, N. Runeberg, Angew. Chem. 2002, 114, 2278-2280
43. Angew. Chem. Int. Ed. 2002, 41, 2174-2176.
44. X. Li, B. Kiran, J. Li, H.-J. Zhai, L.-S. Wang, Angew. Chem. 2002, 114, 4980-4983
45. Angew. Chem. Int. Ed. 2002, 41, 4786-4789.
46. E. N. Esenturk, J. Fettinger, Y.-F. Lam, B. Eichhorn, Angew. Chem. 2004, 116, 2184-2186
47. Angew. Chem. Int. Ed. 2004, 43, 2132-2134
48. E. N. Esenturk, J. Fettinger, B. Eichhorn, J. Am. Chem. Soc. 2006, 128, 9178-9186.
49. K. Wade, Adv. Inorg. Chem. Radiochem. 1976, 18, 1-66
50. D. M. P. Mingos, Acc. Chem. Res. 1984, 17, 311-319.
51. J. Hambrock, M. K. Schroeter, A. Birkner, C. Woll, R. A. Fischer, Chem. Mater. 2003, 15, 4217-4222
52. M. Cokoja, H. Parala, M. K. Schroter, A. Birkner, M. W. E. vana dena Berg, K. V. Klementiev, W. Gruenert, R. A. Fischer, J. Mater. Chem. 2006, 16, 2420-2428
53. M. K. Schroeter, L. Khodeir, M. W. E. van den Berg, T. Hikov, M. Cokoja, S. J. Miao, W. Gruenert, M. Muhler, R. A. Fischer, Chem. Commun. 2006, 2498-2500
54. M. Cokoja, B. R. Jagirdar, H. Parala, A. Birkner, R. A. Fischer, Eur. J. Inorg. Chem. 2008, 3330-3339
55. M. Cokoja, H. Parala, A. Birkner, R. A. Fischer, O. Margeat, D. Ciuculescu, C. Amiens, B. Chaudret, A. Falqui, and, P. Lecante, Eur. J. Inorg. Chem. 2010, 1599-1603.
56. P. Jutzi, B. Neumann, G. Reumann, H.-G. Stammler, Organometallics 1998, 17, 1305-1314.
57. P. Jutzi, L. O. Schebaum, J. Organomet. Chem. 2002, 654, 176-179.
58. G. M. Sheldrick, Acta Crystallogr. Sect. A 2008, 64, 112-122.
59. A. L. Spek, Acta Crystallogr. Sect. D 2009, 65, 148-155.
60. P. Vana dera Sluis, A. L. Spek, Acta Crystallogr. Sect. A 1990, 46, 194-201.
61. T. Steinke, C. Gemel, M. Winter, R. A. Fischer, Roland, Chem. Eur. J. 2005, 11, 1636-1646.
62. A. D. Becke, Phys. Rev. A 1988, 38, 3098-3100.
63. J. P. Perdew, Phys. Rev. B 1986, 33, 8822-8824.
64. R. Ahlrichs, M. Bär, M. Häser, H. Horn, C. Kölmel, Chem. Phys. Lett. 1989, 162, 165-169.
65. F. Weigend, R. Ahlrichs, Phys. Chem. Chem. Phys. 2005, 7, 3297-3305.
66. R. Ahlrichs, Phys. Chem. Chem. Phys. 2004, 6, 5119-5121.
67. K. Eichkorn, O. Treutler, M. Häser, R. Ahlrichs, Chem. Phys. Lett. 1995, 242, 652-660
68. K. Eichkorn, F. Weigend, O. Treutler, R. Ahlrichs, Theor. Chem. Acc. 1997, 97, 119-124
69. F. Weigend, Phys. Chem. Chem. Phys. 2006, 8, 1057-1065.
70. P. Deglmann, K. May, F. Furche, R. Ahlrichs, Chem. Phys. Lett. 2004, 384, 103-107.
71. ADF2009.01, SCM, Theoretical Chemistry; Vrije Universiteit, Amsterdam,.
72. J. G. Snijders, E. J. Baerends, P. Vernooijs, At. Nucl. Energy At. Data Nucl. Tables 1981, 26, 483-509.
73. J. Krijn, E. J. Baerends, Fit Functions in the HFSMethod, Internal Report, Vrije Universiteit Amsterdam, Amsterdam, 1984.
74. C. Chang, M. Pelissier, P. Durand, Phys. Scr. 1986, 34, 394-404
75. J.-L. Heully, I. Lindgren, E. Lindroth, S. Lundquist, A. M. MÃrtensson-Pendrill, J. Phys. B 1986, 19, 2799-2815
76. E. vana Lenthe, E. J. Baerends, J. G. Snijders, J. Chem. Phys. 1993, 99, 4597-4610
77. E. vana Lenthe, E. J. Baerends, J. G. Snijders, J. Chem. Phys. 1996, 105, 6505-6516
78. E. vana Lenthe, R. vana Leeuwen, E. J. Baerends, J. G. Snijders, Int. J. Quantum Chem. 1996, 57, 281-293.
79. G. tea Velde, F. M. Bickelhaupt, E. J. Baerends, S. J. A. vana Gisbergen, C. Fonseca Guerra, J. G. Snijders, T. Ziegler, J. Comput. Chem. 2001, 22, 931-967.
80. Recent reviews about the EDA method and its application have been published by
81. F. M. Bickelhaupt, E. J. Baerends, Rev. Comput. Chem. 2000, 15, 1-86
82. M. Lein, G. Frenking, Theory and Applications of Computational Chemistry: The First 40 Years; Dykstra (Eds.,. G. Frenking, K. S. Kim, G. E. Scuseria,), Elsevier, Amsterdam, 2005, pp. 291-372.