Observation of a short-lived triplet precursor in CpCo(CO)-catalyzed alkyne cyclotrimerization

Organometallics

Volumn 31, Issue 9, 2012, Pages 3582-3587

  Lomont, Justin P ^a,b   Nguyen, Son C ^a,b   Zoerb, Matthew C ^a,b   Hill, Adam D ^a,b   Schlegel, Jacob P ^a,b   Harris, Charles B ^a,b  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

1-HEXENE; 1-HEXYNE; CATALYTIC INTERMEDIATES; CYCLOOLIGOMERIZATION; CYCLOTRIMERIZATION; DENSITY FUNCTIONAL THEORY CALCULATIONS; MECHANISTIC PATHWAYS; NEW RESULTS; PICOSECOND DYNAMICS; REACTION MECHANISM; SOLVENT MOLECULES; SPIN STATE; TIME RESOLVED INFRARED SPECTROSCOPY;

CATALYSIS; COBALT; DENSITY FUNCTIONAL THEORY; OLEFINS; OLIGOMERIZATION; OLIGOMERS; REACTION INTERMEDIATES;

ACETYLENE;

EID: 84861157358     PISSN: 02767333     EISSN: 15206041     Source Type: Journal    
DOI: 10.1021/om300058y     Document Type: Article

References (41)

1. Dahy, A. A.; Koga, N. Bull. Chem. Soc. Jpn. 2005, 78, 781-791
2. Dahy, A. A.; Suresh, C. H.; Koga, N. Bull. Chem. Soc. Jpn. 2005, 78, 792-803
3. Gandon, V.; Agenet, N.; Vollhardt, P. C.; Malacria, M.; Aubert, C. J. Am. Chem. Soc. 2006, 128, 8509
4. Agenet, N.; Gandon, V.; Vollhardt, P. C.; Malacria, M.; Aubert, C. J. Am. Chem. Soc. 2007, 129, 8860
5. Vollhardt, K. P. C. Acc. Chem. Res. 1977, 10, 1
6. Vollhardt, K. P. C. Angew. Chem., Int. Ed. Engl. 1984, 23, 539
7. Lomont, J. P.; Nguyen, S. C.; Schlegel, J. P.; Zoerb, M. C.; Hill, A. D.; Harris, C. B. J. Am. Chem. Soc. 2012, http://dx.doi.org/10.1021/ ja2098468.
8. Rest, A. J.; Whitwell, I.; Graham, W. A.; Hoyano, J. K.; McMaster, A. D. J. Chem. Soc., Dalton Trans. 1987, 1181
9. Dougherty, T. P.; Heilweil, E. J. J. Chem. Phys. 1994, 100, 4006
10. Crichton, O.; Rest, A. J.; Taylor, D. J. J. Chem. Soc., Dalton Trans. 1980, 167
11. Bengali, A. A.; Bergman, R. G.; Moore, C. B. J. Am. Chem. Soc. 1995, 117, 3879
12. Wasserman, E. P.; Bergman, R. G.; Moore, C. B. J. Am. Chem. Soc. 1988, 110, 6076
13. Snee, P. T.; Payne, C. K.; Kotz, K. T.; Yang, H.; Harris, C. B. J. Am. Chem. Soc. 2001, 123, 2255
14. Snee, P. T.; Payne, C. K.; Mebane, S. D.; Harris, C. B. J. Am. Chem. Soc. 2001, 123, 6909
15. Snee, P. T.; Yang, H.; Kotz, K. T.; Payne, C. K.; Harris, C. B. J. Phys. Chem. A 1999, 103, 10426
16. Kotz, K. T.; Yang, H.; Snee, P. T.; Payne, C. K.; Harris, C. B. J. Organomet. Chem. 2000, 596, 183
17. Yang, H.; Asplund, M. C.; Kotz, K. T.; Wilkens, M. J.; Frei, H.; Harris, C. B. J. Am. Chem. Soc. 1998, 120, 10154
18. Yang, H.; Kotz, K. T.; Asplund, M. C.; Harris, C. B. J. Am. Chem. Soc. 1997, 119, 9564
19. Yang, H.; Kotz, K. T.; Asplund, M. C.; Wilkens, M. J.; Harris, C. B. Acc. Chem. Res. 1999, 32, 551
20. Siegbahn, P. E.; Svensson, M. J. Am. Chem. Soc. 1994, 116, 10124
21. Blomberg, M. R.; Siegbahn, P. E.; Svensson, M. J. Am. Chem. Soc. 1992, 114, 6095
22. Carroll, J. J.; Haug, K. L.; Weisshaar, J. C.; Blomberg, M. R.; Siegbahn, P. E.; Svensson, M. J. Phys. Chem. 1995, 99, 13955
23. Besora, M.; Carreón-Macedo, J. L.; Cowan, A. J.; George, M. W.; Harvey, J. N.; Portuis, P.; Ronayne, K. L.; Sun, X. Z.; Towrie, M. J. Am. Chem. Soc. 2009, 131, 3583
24. Portius, P.; Yang, J.; Sun, X.-Z.; Grills, D. C.; Matousek, P.; Parker, A. W.; Towrie, M.; George, M. W. J. Am. Chem. Soc. 2004, 126, 10713
25. Siegbahn, P. E. J. Am. Chem. Soc. 1996, 118, 1487
26. Carreón-Macedo, J. L.; Harvey, J. N. J. Am. Chem. Soc. 2004, 126, 5789
27. Gandon, V.; Agenet, N.; Vollhardt, K. P. C.; Malacria, M.; Aubert, C. J. Am. Chem. Soc. 2009, 131, 3007
28. Hamm, P.; Kaindl, R. A.; Stenger, J. Opt. Lett. 2000, 25, 1798
29. Becke, A. D. J. Chem. Phys. 1993, 98, 5648
30. Perdew, J. P. Phys. Rev. B 1986, 33, 8822
31. Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785
32. Perdew, J. P.; Wang, Y. Phys. Rev. B 1992, 45, 13244
33. Perdew, J. P.; Chevary, J. A.; Vosko, S. H.; Jackson, K. A.; Pederson, M. R.; Singh, D. J.; Fiolhais, C. Phys. Rev. B 1992, 6671
34. Perdew, J. P.; Chevary, J. A.; Vosko, S. H.; Jackson, K. A.; Pederson, M. R.; Singh, D. J.; Fiolhais, C. Phys. Rev. B 1993, 4978
35. Frisch, M. J. Gaussian09, Revision B.01; Gaussian: Wallingford, CT, 2009.
36. Dunning, T. H. J. Chem. Phys. 1989, 90, 1007
37. Woon, D. E.; Dunning, T. H. J. Chem. Phys. 1993, 98, 1358
38. Balabanov, N. B.; Peterson, K. A. J. Chem. Phys. 2005, 123, 064107
39. Bruce, M. I. Chem. Rev. 1991, 91, 197
40. Shanoski, J. E.; Payne, C. K.; Kling, M. F.; Glascoe, E. A.; Harris, C. B. Organometallics 2005, 24, 1852
41. Images produced using: Gaussview 5, Version 5; Dennington, R.; Keith, T.; Millam, J., Eds.; Semichem Inc.: Shawnee Mission, KS, 2009.