The mechanism by which ionic liquids enable Shilov-type CH activation in an oxidizing medium

Organometallics

Volumn 27, Issue 15, 2008, Pages 3770-3773

  Xu, Zhitao ^a   Oxgaard, Jonas ^a   Goddard, William ^a  

^a CALIFORNIA INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

C-H ACTIVATION; QUANTUM-MECHANICAL;

METHANE;

IONIC LIQUIDS;

EID: 50549105132     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om800274f     Document Type: Article

References (19)

1. Shilov, A. E.; Shul'pin, G. B. Chem. Rev. 1997, 97, 2879.
2. Lersch, M.; Tilset, M. Chem. Rev. 2005, 105, 2471.
3. Periana, R. A.; Taube, D. J.; Gamble, S.; Taube, H.; Satoh, T.; Fujii, H. Science 1998, 280, 560.
4. Conley, B. L.; Tenn, W. J.; Young, K. J. H.; Ganesh, S. K.; Meier, S. K.; Ziatdinov, V. R.; Mironov, O.; Oxgaard, J.; Gonzales, J.; Goddard, W. A.; Periana, R. A. J. Mol. Catal. A: Chem. 2006, 251, 8.
5. Lin, M.; Shen, C.; Garcia-Zayas, E. A.; Sen, A. J. Am. Chem. Soc. 2001, 123, 1000.
6. Cheng, J. H.; Li, Z. W.; Haught, M.; Tang, Y. C. Chem. Commun. 2006, 4617.
7. Siegbahn, P. E. M.; Crabtree, R. H. J. Am. Chem. Soc. 1996, 118, 4442.
8. Zhu, H. J.; Ziegler, T. J. Organomet. Chem. 2006, 691, 4486.
9. Kua, J.; Xu, X.; Periana, R. A.; Goddard, W. A. Organomet. 2002, 2, 511.
10. Paul, A.; Musgrave, C. B. Organomet. 2007, 26, 793.
11. Gilbert, T. M.; Hristov, I.; Ziegler, T. Organometallics 2001, 20, 1183.
12. Low, J. J.; Goddard, W. A., III J. Am. Chem. Soc. 1984, 106, 6928.
13. Becke, A. D. J. Chem. Phys. 1993, 98, 5648.
14. Lee, C. T.; Yang, W. T.; Parr, R. G. Phys. Rev. B 1988, 37, 785.
15. Jaguar, v.6.5; Schrodinger, LLC: New York, NY, 2005.
16. Baker, J. M.; Andzelm, M. J.; Scheiner, A. ACS Symposium Series 629; Laird, B. B., Ross, R. B., Ziegler, T., Eds.; American Chemical Society: Washington, DC, 1996.
17. Niu, S. Q.; Hall, M. B. Chem. Rev. 2000, 100, 353.
18. Marten, B.; Kim, K.; Coitis, C.; Friesner, R. A.; Murphy, R. B.; Ringnalda, M. N.; Sitkoff, D.; Honig, B. J. Phys. Chem. 1996, 100, 11775.
19. Tannor, D. J.; Marten, B.; Murphy, R.; Friesner, R. A.; Sitkoff, D.; Nicholls, A.; Ringnalda, M.; Goddard, W. A.; Honig, B. J. Am. Chem. Soc. 1994, 116, 11875.