Understanding nonplanarity in metallabenzene complexes

Organometallics

Volumn 26, Issue 8, 2007, Pages 1986-1995

  Zhu, Jun ^a   Jia, Guochen ^a   Lin, Zhenyang ^a  

^a HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Hong Kong)

Author keywords

[No Author keywords available]

Indexed keywords

COMPLEXATION; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; MOLECULAR ORBITALS;

ELECTRONIC STRUCTURE ANALYSES; HIGHEST OCCUPIED MOLECULAR ORBITAL (HOMO; METALLABENZENE COMPLEXES;

AROMATIC COMPOUNDS;

EID: 34247504194     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om0701367     Document Type: Article

References (37)

1. Thorn, D. L.; Hoffman, R. Nouv. J. Chim. 1979, 3, 39.
2. Elliott, G. P.; Roper, W. R.; Waters, J. M. J. Chem. Soc., Chem. Commun. 1982, 811.
3. For recent reviews, see: (a) Bleeke, J. R. Acc. Chem. Res. 1991, 24, 271.
4. (b) Bleeke, J. R. Chem. Rev. 2001, 101, 1205.
5. (c) Wright, L. J. Dalton Trans. 2006, 1821.
6. (d) Landorf, C. W.; Haley, M. M. Angew. Chem., Int. Ed. 2006, 45, 3914.
7. For 1, see: Hung, W. Y.; Zhu. J.; Wen, T. B.; Yu, K. P.; Sung, H. H. Y.; Williams, I. D.; Lin, Z. Y.; Jia, G. C. J. Am. Chem. Soc. 2006, 128, 13742.
8. For 2 and 3, see: (a) Alvarez, E.; Paneque, M.; Poveda, M. L.; Rendon, N. Angew. Chem., Int. Ed. 2006, 45, 474.
9. (b) Ilg, K.; Paneque, M.; Poveda, M. L.; Rendon, N.; Santos, L. L.; Carmona, E.; Mereiter, K. Organometallics 2006, 25, 2230.
10. For 4 and 5, see: Paneque, M.; Posadas, C. M.; Poveda, M. L.; Rendon, N.; Salazar, V.; Onate, E.; Mereiter, K. J. Am. Chem. Soc. 2003, 1725, 9898.
11. For 6, see: (a) Rickard, C. E. F.; Roper, W. R.; Woodgate, S. D.; Wright, L. J. J. Organomet. Chem. 2001, 623, 109.
12. (b) See also ref 2.
13. For 7, see: Rickard, C. E. F.; Roper, W. R.; Woodgate, S. D.; Wright, L. J. Angew. Chem., Int. Ed. 2000, 39, 750.
14. For 8, see: Gilbertson, R. D.; Lau, T. L. S.; Lanza, S.; Wu, H. P.; Weakley, T. J. R.; Haley, M. M. Organometallics 2003, 22, 3279.
15. For 9, see: (a) Wu, H. P.; Weakley, T. J. R.; Haley, M. M. Chem-Eur. J. 2005, 11, 1191.
16. (b) Gilbertson, R. D.; Weakley, T. J. R.; Haley, M. M. J. Am. Chem. Soc. 1999, 121, 2597.
17. For 10 and 11, see: (a) Bleeke, J. R.; Xie, Y. F.; Peng, W. J.; Chiang, M. J. Am. Chem. Soc. 1989, 111, 4118.
18. (b) Bleeke, J. R.; Behm, R.; Xie, Y. F.; Chiang, M. Y.; Robinson, K. D.; Beatty, A. M. Organometallics 1997, 16, 606.
19. For 12 and 13, see: Bleeke, J. R.; Behm, R. J. Am. Chem. Soc. 1997, 119, 8503.
20. For 14 and 15, see: Xia, H. P.; He, G. M.; Zhang, H.; Wen, T. B.; Sung, H. H. Y.; Williams, I. D.; Jia, G. C. J. Am. Chem. Soc. 2004, 120, 6862.
21. For 16 and 17, see: Zhang, H.; Xia, H. P.; He, G. M.; Wen, T. B.; Gong, L.; Jia, G. C. Angew. Chem., Int. Ed. 2006, 45, 2920.
22. For 18, see: Jacob, V.; Weakley, T. J. R.; Haley, M. M. Angew. Chem., Int. Ed. 2002, 41, 3470.
23. For 19, see: Landorf, C. W.; Jacob, V.; Weakley, T. J. R.; Haley, M. M. Organometallics 2004, 23, 1174.
24. (a) Iron, M. A.; Lucassen, A. C. B.; Cohen, H.; van der Boom, M. E.; Martin, J. M. L. J. Am. Chem. Soc. 2004, 126, 11699.
25. (b) Iron, M. A.; Martin, J. M. L.; van der Boom, M. E. J. Am. Chem. Soc. 2003, 125, 13020.
26. (c) Iron, M. A.; Martin, J. M. L.; van der Boom, M. E. J. Am. Chem. Soc. 2003, 125, 11702.
27. (d) Iron, M. A.; Martin, J. M. L.; van der Boom, M. E. Chem. Commun. 2003, 132.
28. Lynch, B. J.; Fast, P. L.; Harris, M.; Truhlar, D. G. J. Phys. Chem. A 2000, 104, 4811.
29. (a) Haeusermann, U.; Dolg, M.; Stoll, H.; Preuss, H. Mol. Phys. 1993, 78, 1211.
30. (b) Kuechle, W.; Dolg, M.; Stoll, H.; Preuss, H. J. Chem. Phys. 1994, 100, 7535.
31. (c) Leininger, T.; Nicklass, A.; Stoll, H.; Dolg, M.; Schwerdtfeger, P. J. Chem. Phys. 1996, 105, 1052.
32. Huzinaga, S. Gaussian Basis Sets for Molecular Calculations; Elsevier Science Pub. Co.: Amsterdam, 1984.
33. Frisch, M. J.; et al. Gaussian 03, revision B05; Gaussian, Inc.: Pittsburgh, PA, 2003.
34. Schaftenaar, O. Molden v3.7; CAOS/CAMM Center Nijmegen: Toernooiveld, Nijmegen, The Netherlands, 2001.
35. Glendening, E. D.; Reed, A. E.; Carpenter, J. E.; Weinhold, F. NBO Version 3.1.
36. Wiberg, K. B. Tetrahedron 1968, 24, 1083.
37. MullPop, a program written by Reinoldo Pis Diez at the National University of La Plata, Argentina.