Nature of transannular intramolecular interactions in group 4 and 6 metallatranes: A combined density functional theory and atoms in molecules theory study

Inorganic Chemistry

Volumn 49, Issue 21, 2010, Pages 9884-9890

  Phukan, Ashwini K ^a   Guha, Ankur Kanti ^a  

^a TEZPUR UNIVERSITY   (India)

Author keywords

[No Author keywords available]

Indexed keywords

ORGANOMETALLIC COMPOUND; TRANSITION ELEMENT;

ARTICLE; CHEMISTRY; CONFORMATION; QUANTUM THEORY; SYNTHESIS;

MOLECULAR CONFORMATION; ORGANOMETALLIC COMPOUNDS; QUANTUM THEORY; TRANSITION ELEMENTS;

EID: 78049277288     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic101542m     Document Type: Article

References (68)

1. Verkade, J. G. Coord. Chem. Rev. 1994, 137, 233-295
2. Chuit, C., Corriu, R. J. P., Reyé, C., and Young, J. C. Chem. Rev. 1993, 93, 1371-1448
3. Pestunovich, V., Kirpichenko, S., and Voronkov, M. In The Chemistry of Organic Silicon Compounds; Rappoport, Z. and Apeloig, Y., Eds.; John Wiley & Sons: New York, 1998; Vol. 2, Part 1, Chapter 24.
4. Schrock, R. R. Acc. Chem. Res. 1997, 30, 9-16
5. Duan, Z. and Verkade, J. G. Inorg. Chem. 1995, 34, 4311-4316
6. MacMillan, S. N., Tanski, J. M., and Waterman, R. Chem. Commun. 2007, 4172-4174
7. Kim, Y., Hong, E., Lee, M. H., Kim, J., Han, Y., and Do, Y. Organometallics 1999, 18, 36-39
8. Zanetti, N. C., Schrock, R. R., and Davis, W. M. Angew. Chem., Int. Ed. Engl. 1995, 34, 2044-2046
9. Scheer, M., Muller, J., and Haser, M. Angew. Chem., Int. Ed. Engl. 1996, 35, 2492-2496
10. Schubart, M., O'Dwyer, L., Gade, L. H., Li, W. S., and Mcpartlin, M. Inorg. Chem. 1994, 33, 3893-3898
11. Duan, Z., Naiini, A. A., Lee, J. H., and Verkade, J. G. Inorg. Chem. 1995, 34, 5477-5482
12. Morton, C., Munslow, I. J., Sanders, C. J., Alcock, N. W., and Scott, P. Organometallics 1999, 18, 4608-4613
13. Morton, C., Gillespie, K. M., Sanders, C. J., and Scott, P. J. Organomet. Chem. 2000, 606, 141-146
14. Smythe, N. C., Schrock, R. R., Muller, P., and Weare, W. W. Inorg. Chem. 2006, 45, 7111-7118
15. Filippou, A. C. and Schneider, S. Organometallics 2003, 22, 3010-3012
16. Filippou, A. C., Schneider, S., and Ziemer, B. Eur. J. Inorg. Chem. 2002, 2928-2935
17. Schrock, R. R., Seidel, S. W., Zanetti, N. C., Shih, K. Y., O'Donoghue, M. B., Davis, W. M., and Reiff, W. M. J. Am. Chem. Soc. 1997, 119, 11876-11893
18. Scheer, M., Muller, J., Baum, G., and Haser, M. Chem. Commun. 1998, 2505-2506
19. Schrock, R. R., Seidel, S. M., Zanetti, N. C., Dobbs, D. A., Shih, K. Y., and Davies, W. M. Organometallics 1997, 16, 5195-5208
20. Seidel, S. W., Schrock, R. R., and Davies, W. M. Organometallics 1998, 17, 1058-1068
21. Hirose, M., Yasui, T., Ochi, Y., and Nakagawa, M. U. S. Patent, 4, 420, 498, 1983.
22. Buhl, R., Pulker, H. K., and Moll, E. Thin Solid Films 1981, 80, 265-270
23. Ajjou, J. A. N., Scott, S. L., and Paquet, V. J. Am. Chem. Soc. 1998, 120, 415-416
24. Ajjou, J. A. N., Rice, G. L., and Scott, S. L. J. Am. Chem. Soc. 1998, 120, 13436-13443
25. Monoi, T., Ikeda, H., and Torigoe, H. Eur. Patent 1041085, 2000.
26. Ajjou, J. A. N. and Scott, S. L. J. Am. Chem. Soc. 2000, 122, 8968-8976
27. Schmid, R. and Ziegler, T. Can. J. Chem. 2000, 78, 265-269
28. Scott, S. L. and Ajjou, J. A. N. Chem. Eng. Sci. 2001, 56, 4155-4168
29. Schmid, R. and Ziegler, T. Organometallics 2000, 19, 2756-2765
30. Kol, M., Schrock, R. R., Kempe, R., and Davis, W. M. J. Am. Chem. Soc. 1994, 116, 4382-4390
31. O'Donoghue, M. B., Zanetti, N. C., Davis, W. M., and Schrock, R. R. J. Am. Chem. Soc. 1997, 119, 2753-2754
32. Pinkas, J., Gaul, B., and Verkade, J. G. J. Am. Chem. Soc. 1993, 115, 3925-3931
33. Pinkas, J., Wang, T., Jacobson, R. A., and Verkade, J. G. Inorg. Chem. 1994, 33, 5244-5253
34. Shutov, P. L., Karlov, S. S., Harms, K., Tyurin, D. A., Churakov, A. V., Lorberth, J., and Zaitseva, G. S. Inorg. Chem. 2002, 41, 6147-6152
35. Kim, Y. and Verkade, J. G. Inorg. Chem. 2003, 42, 4804-4806
36. Windus, T. L., Schmidt, M. W., and Gordon, M. S. J. Am. Chem. Soc. 1994, 116, 11449-11455
37. Schmidt, M. W., Windus, T. L., and Gordon, M. S. J. Am. Chem. Soc. 1995, 117, 7480-7486
38. Korlyukov, A. A., Lyssenko, K. A., Antipin, M. Y., Kirin, V. N., Chernyshev, E. A., and Knyazev, S. P. Inorg. Chem. 2002, 41, 5043-5051
39. Soran, A. P., Silvestru, C., Breunig, H. J., Balázs, G., and Green, J. C. Organometallics 2007, 26, 1196-1203
40. Rioux, F., Schmidt, M. W., and Gordon, M. S. Organometallics 1997, 16, 158-162
41. Filippou, A. C., Schneider, S., and Schnakenburg, G. Inorg. Chem. 2003, 42, 6974-6976
42. B3LYP is Becke's three-parameter hybrid method using the LYP correlation functional. Becke, A. D. J. Chem. Phys. 1993, 98, 5648-5652
43. Lee, C., Yang, W., and Parr, R. G. Phys. Rev. B 1988, 37, 785-789
44. Vosko, S. H., Wilk, L., and Nusair, M. Can. J. Phys. 1980, 58, 1200-1211
45. Hay, P. J. and Wadt, W. R. J. Chem. Phys. 1985, 82, 270-283
46. Wadt, W. R. and Hay, P. J. J. Chem. Phys. 1985, 82, 284-298
47. Hay, P. J. and Wadt., W. R. J. Chem. Phys. 1985, 82, 299-310
48. Glendening, E. D., Reed, A. E., Carpenter, J. E., and Weinhold, F. NBO Program 3.1: University of Wisconsin: Madison, W. T., 1988.
49. Reed, A. E., Weinhold, F., and Curtiss, L. A. Chem. Rev. 1988, 88, 899-926
50. Frisch, M. C. Gaussian 03, revision D.02; Gaussian, Inc.: Wallingford CT, 2004. For complete reference, see Supporting Information 2004.
51. Bader, R. F. W. Atoms in Molecules: a Quantum Theory; Oxford University Press: Oxford, U. K., 1990.
52. Bader, R. F. W. J. Phys. Chem. A 1998, 102, 7314-7323
53. Bader, R. F. W. Chem. Rev. 1991, 91, 893-928
54. Bader, R. F. W. AIMPAC; http://www.chemistry.mcmaster.ca/aimpac/.
55. Keith, T. A.; AIMAll (Version 10.02.09), 2010, (http://aim.tkgristmill. com).
56. Macedo, J. L. C. and Harvey, J. N. J. Am. Chem. Soc. 2004, 126, 5789-5797
57. Poli, R. J. Organomet. Chem. 2004, 689, 4291-4304
58. Wasbotten, I. H. and Ghosh, A. Inorg. Chem. 2007, 46, 7890-7898
59. Farrugia, L. J., Evans, C., and Tegel, M. J. Phys. Chem. A 2006, 110, 7952-7961
60. Cremer, D. and Kraka, E. Angew. Chem., Int. Ed. Engl. 1984, 23, 627-628
61. Macchi, P. and Sironi, A. Coord. Chem. Rev. 2003, 238 - 239, 383-412
62. Nakanishi, W., Hayashi, S., and Narahara, K. J. Phys. Chem. A 2009, 113, 10050-10057
63. Gatti, C. Z. Kristallogr. 2005, 220, 399-457
64. Gibbs, G. V., Downs, R. T., Cox, D. F., Ross, N. L., Boisen, M. B., Jr., and Rosso, K. M. J. Phys. Chem. A 2008, 112, 3693-3699
65. Love, I. J. Phys. Chem. A 2009, 113, 2640-2646
66. Boily, J. J. Phys. Chem. A 2003, 107, 4276-4285
67. Henn, J., Ilge, D., Leusser, D., Stalke, D., and Engels, B. J. Phys. Chem. A 2004, 108, 9442-9452
68. Ehrenfest, P. Z. Phys. 1927, 45, 455