How does methyllithium invert? A density functional study

Organometallics

Volumn 20, Issue 24, 2001, Pages 5134-5138

  Haeffner, Fredrik ^a   Brinck, Tore ^b  

^a STOCKHOLM UNIVERSITY   (Sweden)

^b ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

CHIRAL ORGANOLITHIUM REAGENTS; METHYLLITHIUM; QUANTUM CHEMICAL; TETRAMER;

ACTIVATION ENERGY; ADDITIVES; ASSOCIATION REACTIONS; DIMERS; DISSOCIATION; HYDROCARBONS; LITHIUM COMPOUNDS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY;

ORGANOMETALLICS;

EID: 0035956474     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om010480i     Document Type: Article

References (28)

1. Tomioka, K. Synthesis 1990, 541.
2. Noyori, R.; Kitamura, M. Angew. Chem. 1991, 103, 34;
3. Angew. Chem., Int. Ed. Engl. 1991, 30, 49.
4. Hoppe, D.; Hense, T. Angew. Chem. 1997, 109, 2376.
5. Angew. Chem., Int. Ed. Engl. 1997, 36, 2282.
6. Witanowski, M.; Roberts, J. D. J. Am. Chem. Soc. 1966, 88, 737.
7. Gawley, R. E.; Zhang, Q. Tetrahedron 1994, 50, 6077.
8. Carstens, A.; Hoppe, D. Tetrahedron 1994, 50, 6097.
9. Faibish, N. C.; Park, Y. S.; Lee, S.; Beak, P. J. Am. Chem. Soc. 1997, 119, 11561.
10. Seebach, D.; Hassig, R.; Gabriel, J. Helv. Chim. Acta 1983, 66, 308.
11. Clark, T.; Schleyer v. R. P.; Pople, J. A. J. Chem. Soc., Chem. Commun. 1978, 137.
12. Arvidsson, P. I.; Ahlberg P.; Hilmersson G. Chem. Eur. J. 1999, 5, 1348.
13. Cossi, M.; Barone, V.; Cammi, R.; Tomasi, J. Chem. Phys. Lett. 1996, 255, 327.
14. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A., Jr.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Baboul, A. G.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, W.; Andres, J. L.; Gonzalez, C.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98, revision A.7; Gaussian, Inc.: Pittsburgh, PA, 1998.
15. Jencks, W. P. Adv. Enzymol. Relat. Areas Mol. Biol. 1972, 43, 219.
16. Amzel, L. M. Proteins 1997, 28, 144.
17. Hermans, J.; Wang, L. J. Am. Chem. Soc. 1997, 119, 2707.
18. Strajbl, M.; Sham, Y. Y.; Villa, J. V.; Chu, Y. Y.; Warshel, A. J. Phys. Chem. B 2000, 104, 4578.
19. Kaufmann, E.; Rgahachari, K.; Reed, A. E.; Schleyer, P. v. R. Organometallics 1988, 7, 1597.
20. Bickelhaupt, F. M.; Van Eikema Hommes, N. J. R.; Guerra, C. F.; Baerends, E. J.; Organometallics 1996, 15, 2923.
21. Seebach, D.; Hässig, R.; Gabriel J. Helv. Chim. Acta 1983, 66, 308.
22. Bauer, W.; Clark, T.; Schleyer, P. V. R. J. Am. Chem. Soc. 1987, 109, 970.
23. Hu, C.-H.; Brinck, T. J. Phys. Chem. A 1999, 103, 5379.
24. Delabie, A.; Creve, S.; Coussens, B.; Nguyen, M. T. J. Chem. Soc., Perkin Trans. 2 2000, 977.
25. Nielsen, P. A.; Norrby, P. O.; Liljefors, T.; Rega, N.; Barone, V.; J. Am. Chem. Soc. 2000, 122, 3151.
26. Thomas, R. D.; Clarke, M. T.; Jensen, R. M.; Young, T. C. Organometallics 1986, 5, 1851.
27. Brown, T. L.; Dickerhoff, D. W.; Bafus, D. A. J. Am. Chem. Soc. 1962. 84, 1371.
28. Dykstra, C. E.; Hereld, M.; Lucchese, R. R.; Schaefer, H. F., III; Meyer, W. J. Chem. Phys. 1977, 67, 4071.