Binding of ethylene to anionic, neutral, and cationic nickel(II), palladium(II), and platinum(II) cis/trans chloride ammonia complexes. A theoretical study

Organometallics

Volumn 16, Issue 14, 1997, Pages 3165-3168

  Strömberg, Staffan ^a   Svensson, Mats ^a   Zetterberg, Krister ^a  

^a ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001182106     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om970261q     Document Type: Article

References (68)

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45. 2(dimethylamine) is observed but cannot be isolated at low temperature. Hegedus, L. S.; Åkermark, B.; Zetterberg, K.; Olsson, L. F. J. Am. Chem. Soc. 1984, 106, 7122.
46. 2(dimethylamine) is observed but cannot be isolated at low temperature. Hegedus, L. S.; Åkermark, B.; Zetterberg, K.; Olsson, L. F. J. Am. Chem. Soc. 1984, 106, 7122.
47. 2(dimethylamine) is observed but cannot be isolated at low temperature. Hegedus, L. S.; Åkermark, B.; Zetterberg, K.; Olsson, L. F. J. Am. Chem. Soc. 1984, 106, 7122.
48. 2(dimethylamine) is observed but cannot be isolated at low temperature. Hegedus, L. S.; Åkermark, B.; Zetterberg, K.; Olsson, L. F. J. Am. Chem. Soc. 1984, 106, 7122.
49. 2(dimethylamine) is observed but cannot be isolated at low temperature. Hegedus, L. S.; Åkermark, B.; Zetterberg, K.; Olsson, L. F. J. Am. Chem. Soc. 1984, 106, 7122.
50. 2(dimethylamine) is observed but cannot be isolated at low temperature. Hegedus, L. S.; Åkermark, B.; Zetterberg, K.; Olsson, L. F. J. Am. Chem. Soc. 1984, 106, 7122.
51. 0-metal centers. (a) Horton, A. D.; Orpen, G. A. Organometallics 1992, 11, 8. (b) Wu, Z.; Jordan R. F.; Petersen, J. L. J. Am. Chem. Soc. 1995, 117, 5867. (c) Woo, T. K.; Fan, L.; Ziegler, T. Organometallics 1994, 13, 2252. (d) Yoshida, T.; Koga, N.; Morokuma, K. Organometallics 1995, 14, 746. (e) Fan, L.; Harrison, D.; Woo, T. K.; Ziegler, T. Organometallics 1995, 14, 2018. (f) See also discussion in the following: Collman, J. P.; Hegedus, L. S.; Norton, J. R.; Finke, R. G. Principles and Applications of Organotransition Metal Chemistry, 2nd ed.; University Science Books: Mill Valley, CA, 1987; p 39.
52. 0-metal centers. (a) Horton, A. D.; Orpen, G. A. Organometallics 1992, 11, 8. (b) Wu, Z.; Jordan R. F.; Petersen, J. L. J. Am. Chem. Soc. 1995, 117, 5867. (c) Woo, T. K.; Fan, L.; Ziegler, T. Organometallics 1994, 13, 2252. (d) Yoshida, T.; Koga, N.; Morokuma, K. Organometallics 1995, 14, 746. (e) Fan, L.; Harrison, D.; Woo, T. K.; Ziegler, T. Organometallics 1995, 14, 2018. (f) See also discussion in the following: Collman, J. P.; Hegedus, L. S.; Norton, J. R.; Finke, R. G. Principles and Applications of Organotransition Metal Chemistry, 2nd ed.; University Science Books: Mill Valley, CA, 1987; p 39.
53. 0-metal centers. (a) Horton, A. D.; Orpen, G. A. Organometallics 1992, 11, 8. (b) Wu, Z.; Jordan R. F.; Petersen, J. L. J. Am. Chem. Soc. 1995, 117, 5867. (c) Woo, T. K.; Fan, L.; Ziegler, T. Organometallics 1994, 13, 2252. (d) Yoshida, T.; Koga, N.; Morokuma, K. Organometallics 1995, 14, 746. (e) Fan, L.; Harrison, D.; Woo, T. K.; Ziegler, T. Organometallics 1995, 14, 2018. (f) See also discussion in the following: Collman, J. P.; Hegedus, L. S.; Norton, J. R.; Finke, R. G. Principles and Applications of Organotransition Metal Chemistry, 2nd ed.; University Science Books: Mill Valley, CA, 1987; p 39.
54. 0-metal centers. (a) Horton, A. D.; Orpen, G. A. Organometallics 1992, 11, 8. (b) Wu, Z.; Jordan R. F.; Petersen, J. L. J. Am. Chem. Soc. 1995, 117, 5867. (c) Woo, T. K.; Fan, L.; Ziegler, T. Organometallics 1994, 13, 2252. (d) Yoshida, T.; Koga, N.; Morokuma, K. Organometallics 1995, 14, 746. (e) Fan, L.; Harrison, D.; Woo, T. K.; Ziegler, T. Organometallics 1995, 14, 2018. (f) See also discussion in the following: Collman, J. P.; Hegedus, L. S.; Norton, J. R.; Finke, R. G. Principles and Applications of Organotransition Metal Chemistry, 2nd ed.; University Science Books: Mill Valley, CA, 1987; p 39.
55. 0-metal centers. (a) Horton, A. D.; Orpen, G. A. Organometallics 1992, 11, 8. (b) Wu, Z.; Jordan R. F.; Petersen, J. L. J. Am. Chem. Soc. 1995, 117, 5867. (c) Woo, T. K.; Fan, L.; Ziegler, T. Organometallics 1994, 13, 2252. (d) Yoshida, T.; Koga, N.; Morokuma, K. Organometallics 1995, 14, 746. (e) Fan, L.; Harrison, D.; Woo, T. K.; Ziegler, T. Organometallics 1995, 14, 2018. (f) See also discussion in the following: Collman, J. P.; Hegedus, L. S.; Norton, J. R.; Finke, R. G. Principles and Applications of Organotransition Metal Chemistry, 2nd ed.; University Science Books: Mill Valley, CA, 1987; p 39.
56. 0-metal centers. (a) Horton, A. D.; Orpen, G. A. Organometallics 1992, 11, 8. (b) Wu, Z.; Jordan R. F.; Petersen, J. L. J. Am. Chem. Soc. 1995, 117, 5867. (c) Woo, T. K.; Fan, L.; Ziegler, T. Organometallics 1994, 13, 2252. (d) Yoshida, T.; Koga, N.; Morokuma, K. Organometallics 1995, 14, 746. (e) Fan, L.; Harrison, D.; Woo, T. K.; Ziegler, T. Organometallics 1995, 14, 2018. (f) See also discussion in the following: Collman, J. P.; Hegedus, L. S.; Norton, J. R.; Finke, R. G. Principles and Applications of Organotransition Metal Chemistry, 2nd ed.; University Science Books: Mill Valley, CA, 1987; p 39.
57. (a) See ref 19f, p 401.
58. (b) See ref 1b.
59. (c) Mulliken charges are well known to be sensitive to the basis set. The absolute calculated charges should, therefore, be interpreted with care. However, the trend from Table 4 between the different complexes should be more reliable.
60. (a) See ref 2.
61. (b) However, Keim's neutral catalysts are active: Keim, W.; Behr, A.; Roper, M. In Comprehensive Organometallic Chemistry; Wilkinson, G., Stone, F. G. A., Abel, E. W., Eds.; Pergamon: New York, 1982; Vol. 8, Chapter 52. Keim, W. Angew. Chem., Int. Ed. Engl. 1990, 29, 235. Keim, W. J. Mol. Catal. 1989, 52, 19. Peuckert, M.; Keim, W. Organometallics 1983, 2, 594. Al-Jarallah, A. M.; Anabtawi, J. A.; Siddiqui, M. A. B.; Aitani, A. M.; Al-Sa'doun, A. W. Catal. Today 1992, 14, 1. Weissermel, K.; Arpe, H.-J. Industrial Organic Chemistry; VCH: Weinheim, 1993.
62. (b) However, Keim's neutral catalysts are active: Keim, W.; Behr, A.; Roper, M. In Comprehensive Organometallic Chemistry; Wilkinson, G., Stone, F. G. A., Abel, E. W., Eds.; Pergamon: New York, 1982; Vol. 8, Chapter 52. Keim, W. Angew. Chem., Int. Ed. Engl. 1990, 29, 235. Keim, W. J. Mol. Catal. 1989, 52, 19. Peuckert, M.; Keim, W. Organometallics 1983, 2, 594. Al-Jarallah, A. M.; Anabtawi, J. A.; Siddiqui, M. A. B.; Aitani, A. M.; Al-Sa'doun, A. W. Catal. Today 1992, 14, 1. Weissermel, K.; Arpe, H.-J. Industrial Organic Chemistry; VCH: Weinheim, 1993.
63. (b) However, Keim's neutral catalysts are active: Keim, W.; Behr, A.; Roper, M. In Comprehensive Organometallic Chemistry; Wilkinson, G., Stone, F. G. A., Abel, E. W., Eds.; Pergamon: New York, 1982; Vol. 8, Chapter 52. Keim, W. Angew. Chem., Int. Ed. Engl. 1990, 29, 235. Keim, W. J. Mol. Catal. 1989, 52, 19. Peuckert, M.; Keim, W. Organometallics 1983, 2, 594. Al-Jarallah, A. M.; Anabtawi, J. A.; Siddiqui, M. A. B.; Aitani, A. M.; Al-Sa'doun, A. W. Catal. Today 1992, 14, 1. Weissermel, K.; Arpe, H.-J. Industrial Organic Chemistry; VCH: Weinheim, 1993.
64. (b) However, Keim's neutral catalysts are active: Keim, W.; Behr, A.; Roper, M. In Comprehensive Organometallic Chemistry; Wilkinson, G., Stone, F. G. A., Abel, E. W., Eds.; Pergamon: New York, 1982; Vol. 8, Chapter 52. Keim, W. Angew. Chem., Int. Ed. Engl. 1990, 29, 235. Keim, W. J. Mol. Catal. 1989, 52, 19. Peuckert, M.; Keim, W. Organometallics 1983, 2, 594. Al-Jarallah, A. M.; Anabtawi, J. A.; Siddiqui, M. A. B.; Aitani, A. M.; Al-Sa'doun, A. W. Catal. Today 1992, 14, 1. Weissermel, K.; Arpe, H.-J. Industrial Organic Chemistry; VCH: Weinheim, 1993.
65. (b) However, Keim's neutral catalysts are active: Keim, W.; Behr, A.; Roper, M. In Comprehensive Organometallic Chemistry; Wilkinson, G., Stone, F. G. A., Abel, E. W., Eds.; Pergamon: New York, 1982; Vol. 8, Chapter 52. Keim, W. Angew. Chem., Int. Ed. Engl. 1990, 29, 235. Keim, W. J. Mol. Catal. 1989, 52, 19. Peuckert, M.; Keim, W. Organometallics 1983, 2, 594. Al-Jarallah, A. M.; Anabtawi, J. A.; Siddiqui, M. A. B.; Aitani, A. M.; Al-Sa'doun, A. W. Catal. Today 1992, 14, 1. Weissermel, K.; Arpe, H.-J. Industrial Organic Chemistry; VCH: Weinheim, 1993.
66. (b) However, Keim's neutral catalysts are active: Keim, W.; Behr, A.; Roper, M. In Comprehensive Organometallic Chemistry; Wilkinson, G., Stone, F. G. A., Abel, E. W., Eds.; Pergamon: New York, 1982; Vol. 8, Chapter 52. Keim, W. Angew. Chem., Int. Ed. Engl. 1990, 29, 235. Keim, W. J. Mol. Catal. 1989, 52, 19. Peuckert, M.; Keim, W. Organometallics 1983, 2, 594. Al-Jarallah, A. M.; Anabtawi, J. A.; Siddiqui, M. A. B.; Aitani, A. M.; Al-Sa'doun, A. W. Catal. Today 1992, 14, 1. Weissermel, K.; Arpe, H.-J. Industrial Organic Chemistry; VCH: Weinheim, 1993.
67. Strömberg, S.; Zetterberg, K.; Siegbahn, P. E. M. Manuscript in preparation.
68. Crabtree, R. H. The Organometallic Chemistry of the Transition Metals, 2nd ed.; John Wiley & Sons: New York, 1994.