Transition-metal complexes [(PMe3)2Cl 2M(E)] and [(PMe3)2(CO)2M(E)] with Naked group 14 atoms (E = C-Sn) as ligands; part 1: parent compounds

Chemistry - A European Journal

Volumn 15, Issue 35, 2009, Pages 8807-8816

  Parameswaran, Pattiyil ^a   Frenking, Gernot ^a  

^a PHILIPPS UNIVERSITY MARBURG   (Germany)

Author keywords

Bonding analysis; Density functional calculations; Group 14 elements; Isolobal relationship; Transition metals

Indexed keywords

AS-LIGANDS; AXIAL POSITIONS; BOND DISSOCIATION ENERGIES; BOND STRENGTH; BONDING ANALYSIS; BONDING SITUATION; CARBON COMPLEXES; CHARGE DECOMPOSITION ANALYSIS; DECOMPOSITION ANALYSIS; DENSITY FUNCTIONAL CALCULATIONS; DEWAR-CHATT-DUNCANSON MODEL; DONOR BONDS; DONOR-ACCEPTORS; ELECTRON SHARING; EQUILIBRIUM GEOMETRIES; GROUP 14 ELEMENTS; ISOLOBAL RELATIONSHIP; PARENT COMPOUNDS; THEORETICAL RESULT; TRANSITION-METAL COMPLEX; U-SHAPED;

CHEMICAL BONDS; COMPOSITE MICROMECHANICS; DISSOCIATION; GERMANIUM; LIGANDS; METAL ANALYSIS; METAL COMPLEXES; OSMIUM; SILICON; TIN; TRANSITION METALS;

DENSITY FUNCTIONAL THEORY;

EID: 69749103193     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.200900791     Document Type: Article

References (107)

1. Reviews: a) E. D. Jemmis, E. G. Jayasree, P. Parameswaran, Chem. Soc. Rev. 2005, 35, 157;
2. R. Keese, Chem. Rev. 2006, 106, 4787.
3. a) R. Tonner, F. öxler, B. Neumüller, W. Petz, G. Frenking, Angew. Chem. 2006, 118, 8206;
4. Angew. Chem. Int. Ed. 2006, 45, 8038;
5. b) R. Tonner, G. Frenking, Angew. Chem. 2007, 119, 8850;
6. Angew. Chem. Int. Ed. 2007, 46, 8695;
7. c) R. Tonner, G. Frenking, Chem. Eur. J. 2008, 14, 3260;
8. d) R. Tonner, G. Frenking, Chem. Eur. J. 2008, 14, 3273.
9. a) C. A. Dyker, V. Lavallo, B. Donnadieu, G. Bertrand, Angew. Chem. 2008, 120, 3250;
10. Angew. Chem. Int. Ed. 2008, 47, 3206;
11. b) A. Fürstner, M. Alcarazo, R. Goddard, C. W. Lehmann, Angew. Chem. 2008, 120, 3254;
12. Angew. Chem. Int. Ed. 2008, 47, 3210.
13. Y. Chen, W. Petz, G. Frenking, Organometallics 2000, 19, 2698.
14. a) R. G. Carlson, M. A. GiIe, J. A. Heppert, M. H. Mason, D. R. Powell, D. Van der Velde, J. M. Vilain, J. Am. Chem. Soc. 2002, 124, 1580;
15. b) A. Hejl, T. M. Trnka, M. W. Day, R. H. Grubbs, Chem. Commun. 2002, 2524;
16. c) P. E. Romero, W. E. Piers, R. McDonald, Angew. Chem. 2004, 116, 6287;
17. Angew. Chem. Int. Ed. 2004, 43, 6161;
18. d) S.R. Caskey, M. H. Stewart, J. E. Kivela, J. R. Sootsman, M. J. A. Johnson, J. W. Kampf, J. Am. Chem. Soc. 2005, 127, 16750;
19. e) S. R. Caskey, M. H. Stewart, M.J.A. Johnson, J. W. Kampf, Angew. Chem. 2006, 118, 7582;
20. Angew. Chem. Int. Ed. 2006, 45, 7422;
21. f) M. H. Stewart, M. J. A. Johnson, J. W. Kampf, Organometallics 2007, 26, 5102;
22. g) J. B. Gary, C. Buda, M.J.A. Johnson, B.D. Dunietz, Organometallics 2008, 27, 814.
23. a) A. Krapp, K. K. Pandey, G. Frenking, J. Am. Chem. Soc. 2007, 129, 7596;
24. b) A, Krapp, G. Frenking, J. Am. Chem. Soc. 2008, 130, 16646.
25. J. B. Gary, C. Buda, M. J. A. Johnson, B. D. Dunietz, Organometallics 2008, 27, 814.
26. a) W. Gäde, E. Weiss, J. Organomet. Chem. 1981, 213, 451;
27. b) N. M. Kostic, R. F. Fenske, J. Organomet. Chem. 1982, 233, 337;
28. c) D. Melzer, E. Weiss, J. Organomet. Chem. 1984, 265, 67;
29. d) J. D. Korp, I. Bernal, R. Hnrlein, R. Serrano, W. A. Herrmann, Chem. Ber. 1985, 118, 340;
30. e) W. A. Herrmann, H.-J. Kneuper, E. Herdtweck, Angew. Chem. 1985, 97,1060;
31. Angew. Chem. Int. Ed. Engl. 1985, 24, 1062;
32. f) W. A. Herrmann, Angew. Chem. 1986, 98, 57;
33. Angew. Chem. Int. Ed. Engl. 1986, 25, 56;
34. g) H.-J. Kneuper, E. Herdtweck, W. A. Herrmann, J. Am. Chem. Soc. 1987, 109, 2508;
35. h) F. Ettel, G. Huttner, L. Zsolnai, Angew. Chem. 1989, 101, 1525;
36. Angew. Chem. Int. Ed. Engl. 1989, 28, 1496;
37. i) W.A. Herrmann, H.-J. Kneuper, E. Herdtweck, Chem. Ber. 1989, 122, 437;
38. j) F. Ettel, G. Huttner, W. Imhof, J. Organomet. Chem. 1990, 397, 299;
39. k) F. Ettel, G. Huttner, L. Zsolnai, C. Emmerich, J. Organomet. Chem. 1991, 414, 71;
40. B. Schiemenz, F. Ettel, G. Huttner, L. Zsolnai, J. Organomet. Chem. 1993, 458, 159;
41. m) F. Ettel, M. Schollenberger, B. Schiemenz, G. Huttner, L. Zsolnai, J. Organomet Chem. 1994, 476, 153.
42. A. J. Arduengo III, R. L. Harlow, M. Kline, J. Am. Chem. Soc. 1991, 113, 361.
43. M. Denk, R. Lennon, R. Hayashi, R. West, A. V. Belyakov, H. P. Verne, A. Haaland, M. Wagner, N. Metzler, J. Am. Chem. Soc. 1994, 116, 2691.
44. W. A. Herrmann, M. Denk, J. Behm, W. Scherer, F. R. Klingan, H. Bock, B. Solouki, M. Wagner, Angew. Chem. 1992, 104, 1489;
45. Angew. Chem. Int. Ed. Engl 1992, 31, 1485.
46. T. Gans-Eichler, T. Gudat, M. Nieger, Angew. Chem. 2002, 114, 1966;
47. Angew. Chem. Int. Ed. 2002, 41, 1888.
48. E. O. Fischer, A. Maasböl, Angew. Chem. 1964, 76, 645;
49. Angew. Chem. Int. Ed. Engl 1964, 5, 580.
50. R. R. Schrock, J. Am. Chem. Soc. 1974, 96, 6796.
51. P. Jutzi, W. Steiner, Angew. Chem. 1976, 88, 720;
52. Angew. Chem. Int. Ed. Engl. 1976, 15, 684.
53. J. D. Cotton, P. J. Davidson, M. F. Lappert, J. Chem. Soc. Dalton Trans. 1976, 21, 2275.
54. S. D. Grumbine, T. D. Tilley, F. P. Arnold, A. L. Rheingold, J. Am. Chem. Soc. 1993, 115, 7884.
55. E. O. Fischer, G. Kreis, C. G. Kreiter, J. Müller, G. Huttner, H. Lorenz, Angew. Chem. 1973, 85, 618;
56. Angew. Chem. Int. Ed. Engl. 1973, 12, 564.
57. S. J. McLain, C. D. Wood, L. W. Messerle, R. R. Schrock, F. J. Hollander, W. J. Youngs, M. R. Churchill, J. Am. Chem. Soc. 1978, 100, 5962.
58. R. S. Simons, P. P. Power, J. Am. Chem. Soc. 1996, 118, 11966.
59. A. C. Filippou, P. Portius, A. I, Philippopoulos, H. Rohde, Angew. Chem. 2003, 115, 461;
60. Angew. Chem. Int. Ed, 2003, 42, 445.
61. a) J. C. Peters, A. L. Odom, C. C. Cummins, J. Chem. Soc. Chem. Commun. 1997, 1995;
62. b) A.E. Enriquez, P.S. White, J. L. Templeton, J. Am. Chem. Soc. 2001, 123, 4992;
63. c) J. B. Greco, J. C. Peters, T. A. Baker, W. M. Davis, C. C. Cummins, G. Wu, J. Am. Chem. Soc. 2001, 123, 5003.
64. C. E. Laplaza, C. C. Cummins, Science 1995, 268, 861.
65. A. Neuhaus, A. Veldkamp, G. Frenking, Inorg. Chem. 1994, 33, 5278.
66. a) S. F. Vyboishchikov, G. Frenking, Chem. Eur. J. 1998, 4, 1428;
67. b) M. Cases, G. Frenking, M. Duran, M. Sola, Organometallics 2002, 21, 4182;
68. c) G. Frenking, M. Sol̀e;, S. F. Vyboishchikov, J. Organomet. Chem. 2005, 690, 6178;
69. d) M. Lein, A. Szabó, A. Kovács, G. Frenking, Faraday Discuss. 2003, 124, 365;
70. e) S.F. Vyboishchikov, G. Frenking, Chem. Eur. J. 1998, 4,1439.
71. a) G. Frenking, K. Wichmann, N. Fröhlich, C. Loschen, M. Lein, J. Frunzke, V. M. Rayon, Coord. Chem. Rev. 2003, 238-239, 55;
72. b) M. Lein, A. Szabo, A. Kovacs, G. Frenking, Faraday Discuss. 2003, 124, 365;
73. c) M. Lein, G. Frenking in Theory and Applications of Computational Chemistry: The First 40 Years (Eds.: C. E. Dykstra, G. Frenking, K. S. Kim, G. E. Scuseria), Elsevier, Amsterdam, 2005, p. 291.
74. a) K. Morokuma, J. Chem. Phys. 1971, 55, 1236;
75. b) K. Kitaura, K. Morokuma, Int. J. Quantum Chem. 1976, 10, 325.
76. T. Ziegler, A. Rauk, Theor. Chem. Acc. 1977, 46, 1.
77. A. E. Reed, L. A. Curtiss, F. Weinhold, Chem. Rev. 1988, 88, 899.
78. A. D. Becke, Phys. Rev. A 1988, 38, 3098.
79. a) J. P. Perdew, Phys. Rev. B 1986, 34, 7406;
80. b) J. P. Perdew, Phys. Rev. B 1986, 33, 8822.
81. J. G. Snijders, E. J. Baerends, At. Data Nucl. Data Tables 1981, 26, 483.
82. E. J. Baerends, D. E. Ellis, P. Ros, J. Chem. Phys 1973, 58, 41.
83. J. Krijn, E. J. Baerends, Fit Functions in the HFS-Method, Internal Report, Vrije Universiteit Amsterdam (the Netherlands), 1984.
84. a) C. Chang, M. Pelissier, P. Durand, Phys. Scr. 1986, 34, 394;
85. b) J.L. Heully, I. Lindgren, E. Lindroth, S. Lundquist, A.-M. Martensson-Pendrill, J. Phys. B 1986, 19, 2799;
86. (c) E. van Lenthe, E. J. Baerends, J. G. Snijders, J. Chem. Phys 1993, 99, 4597;
87. d) E. van Lenthe, R. van Leeuwen, E. J. Baerends, J. G. Snijders, Int. J. Quantum Chem. 1996, 57, 281;
88. e) J. G. van Lenthe, E. J. Baerends, J. G. Snijders, J. Chem. Phys 1996, 105, 6505.
89. a) L. Fan, T. Ziegler, J. Chem. Phys. 1992, 96, 9005;
90. b) L. Fan, T. Ziegler, J. Phys. Chem. 1992, 96, 6937.
91. a) C. Fonseca Guerra, J. G. Snijders, G. te Velde, E. J. Baerends, Theor. Chem. Acc. 1998, 99,1998;
92. b) G. te Velde, F. M. Bickelhaupt, E. J. Baerends, C. Fonseca Guerra, S. J. A. van Gisbergen, J. G. Snijders, T. Ziegler, J. Comb. Chem. 2001, 22, 931;
93. c) ADF2004.01 and ADF2005.01, Theoretical Chemistry, Vrije Universiteit, SCM. http://www.scm.com; Amsterdam, The Netherlands.
94. F. M. Bickelhaupt, E. J. Baerends in Reviews in Computational Chemistry, Vol.15 (Eds.: K. B. Lipkowitz, D. B., Boyd), Wiley-VCH, Weinheim, 2000, p. 1.
95. Gaussian03, RevisionD.01, M.J. Frisch, G.W. Trucks, H.B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. A. Montgomery, Jr., T. Vreven, K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Kiene, J.. Li, J. E. Knox, H. P. Hratchian, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, P. Y. Ayala, K. Morokuma, G. A. Voth, P. Salvador, J. J. Danneriberg, V. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain, O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. V Ortiz, Q. Cui, A. G. Baboul, S. Clifford, J. Cioslowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I, Komaromi, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, C. Gonzalez, J. A. Pople, Gaussian, Inc., Wallingford, CT, 2004.
96. F. Weigend, R. Ahlrichs, Phys Chem. Chem. Phys. 2005, 7, 3297.
97. N. Fröhlich, G. Frenking, Chem. Rev. 2000, 100, 717.
98. R. Hoffmann, Angew. Chem. 1982, 94, 725;
99. Angew. Chem. Int. Ed. Engl 1982, 2, 711.
100. a) A. Lupinetti, S. Fau, G. Frenking, S. H. Strauss, J. Phys. Chem. 1997, 101, 9551;
101. b) G. Frenking, C. Loschen, A. Krapp, S. Fau, S. H. Strauss, J. Compta. Chem. 2007, 28, 117.
102. a) J. Uddin, G. Frenking, J. Am. Chem. Soc. 2001, 123, 1683;
103. b) G. Frenking, K. Wichmann, N. Fröhlich, J. Grobe, W. Golla, D. Le Van, B. Krebs, M. Läge, Organometallics 2002, 21, 2921.
104. M. J. S. Dewar, Bull. Soc. CMm. Fr. 1951, 18, C79.
105. J. Chatt, L. A. Duncanson, J. Chem. Soc. 1953, 2929.
106. a) G. Frenking, J. Organomet. Chem. 2001, 655, 9;
107. b) G. Frenking in Modem Coordination Chemistry: The Legacy of Joseph Chatt (Eds. G. J. Leigh, N. Winterton), The Royal Society, London, 2002, p. 111.