Reactions of methyllithium with CO and CNMe: Theoretical study

International Journal of Quantum Chemistry

Volumn 106, Issue 3, 2006, Pages 692-696

  Tacke, Matthias ^a   Leyden, Rosaria ^a   Cuffe, Laurence P ^a  

^a UNIVERSITY COLLEGE DUBLIN   (Ireland)

Author keywords

CO insertion; DFT; Main group element carbonyl; Methyllithium

Indexed keywords

CARBON MONOXIDE; CHEMICAL BONDS; PROBABILITY DENSITY FUNCTION; REACTION KINETICS; THERMAL EFFECTS;

CO INSERTION; DFT; MAIN GROUP ELEMENT CARBONYL; METHYLLITHIUM;

LITHIUM;

EID: 33645322378     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.20832     Document Type: Conference Paper

References (24)

1. Wakefield, B. J. Organolithium Methods; Academic Press: San Diego, CA, 1988.
2. Bickelhaupt, F. M.; van Eikema Hommes, N. J. R.; Guerra, C. F.; Baerends, E. J. Organometallics 1996, 15, 2923.
3. Haeffner, F.; Sun, C.; Williard, P. G. J Am Chem Soc 2000, 122, 12542.
4. Parisel, O.; Fressigne, C.; Maddaluno, J.; Giessner-Prettre, C. J Org Chem 2003, 68, 1290.
5. Verstraete, P.; Deffieux, A.; Fritsch, A.; Rayez, J. C.; Rayez, M. T. J Mol Struct (Theochem) 2003, 631, 53.
6. M. A.; Nichols, P. G. Williard, J. Amer. Chem. Soc., 1993, 115, 1568.
7. Schümann, U. Kopf, J.; Weiss, E. Angew Chem Int Ed Engl 1985, 24, 215.
8. Kottke, T.; Stalke, D. Angew Chem Int Ed Engl 1993, 32, 580.
9. Siemeling, U.; Redecker, T.; Neumann, B.; Stammler, H.-G. J Am Chem Soc 1994, 116, 5507.
10. Trzupek, L. S.; Newirth, T. L.; Kelly, E. G.; Sbarti, N. E.; Whitesides, G. M. J Am Chem Soc 1973, 95, 8118.
11. Seyferth, D.; Hui, R. C.; Weinstein, R. M.; Wang, W. L. Nova Acta Leopoldina 1985, 59, 335.
12. Tacke, M. Chem Ber 1995, 128, 1051.
13. Tacke, M. Eur J Inorg Chem 1998, 537.
14. Tacke, M.; Sparrer, P.; Teuber, R.; Stadter, H.-J.; Schuster, F. J Mol Struct 1995, 349, 251.
15. Vosko, S. H.; Wilk, L.; Nusair, M. Can J Phys 1980, 58, 1200.
16. Becke, A. D. Phys Rev A 1988, 38, 3098.
17. Lee, C.; Yang, W.; Parr, R. G. Phys Rev B 1988, 37, 785.
18. Miehlich, B.; Savin, A.; Stoll, H.; Preuss, H. Chem Phys Lett 1989, 157, 200.
19. Becke, A. D. J Chem Phys 1993, 98, 5648.
20. Burke, K.; Perdew, J. P.; Wang, Y. In Electronic Density Functional Theory: Recent Progress and New Directions; Dobson, J. F.; Vignale, G.; Das, M. P., Eds.; Plenum: New York, 1998; p 81.
21. Perdew, J. P. In Electronic Structure of Solids; Ziesche, P.; Eschrig, H., Eds.; Akademie Verlag: Berlin, 1991; p 11.
22. Perdew, J. P.; Chevary, J. A.; Vosko, S. H.; Jackson, K. A.; Pederson, M. R.; Singh, D. J.; Fiolhais, C. Phys Rev B 1992, 46, 6671.
23. Perdew, J. P.; Chevary, J. A.; Vosko, S. H.; Jackson, K. A.; Pederson, M. R.; Singh, D. J.; Fiolhais, C. Phys Rev B 1993, 48, 4978.
24. Perdew, J. P.; Burke, K.; Wang, Y. Phys Rev B 1996, 54, 16533.