Ab Initia Molecular Orbital Calculations of Electronic Effects on the Kinetics of Cyclopropylcarbinyl Radical Ring Openings

Journal of Organic Chemistry

Volumn 63, Issue 11, 1998, Pages 3618-3623

  Martinez, Felix N ^a   Schlegel, H Bernhard ^a   Newcomb, Martin ^a  

^a WAYNE STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000994935     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo972272z     Document Type: Article

References (27)

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3. Giese, B. Radicals in Organic Synthesis: Formation of CarbonCarbon Bonds; Pergamon Press: Oxford, 1986. Curran, D. P. Synthesis 1988, 417, 489. Ramaiah, M. Tetrahedron 1987, 43, 3541.
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7. Maeda, Y.; Schmid, P.; Griller, D.; Ingold, K. U. J. Chem. Soc., Chem. Commun. 1978, 525. Beckwith, A. L. J.; Bowry, V. W.; Ingold, K U. J. Am. Chem. Soc. 1992, 114, 4983. Johnson, C. C.; Horner, J. H.; Tronche, C.; Newcomb, M. J. Am. Chem. Soc. 1995, 117, 1684. Tronche, C.; Martinez, F. N.; Horner, J. H.; Newcomb, M.; Senn, M.; Giese, B. Tetrahedron Lett. 1996, 37, 5845.
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10. a = 8.17 kcal/mol.
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23. See, for example: Liu, K. E.; Johnson, C. C.; Newcomb, M.; Lippard, S. J. J. Am. Chem. Soc. 1093, 115, 939. Newcomb, M.; Le Tadic-Biadatti, M.-H.; Chestney, D. L.; Roberte, E. S.; Holleaberg, P. F. J. Am. Chem. Soc. 1995, 117, 12085.
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