8110
S. Trofimenko et al. / Tetrahedron 63 (2007) 8104–8111
Gaussian 03.35 Using the B3LYP/6-311++G** optimized
geometries, we have calculated the GIAO absolute shield-
ings (see Supplementary data).36
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Samat, A.; Loshkin, V.; Vales, M.; Elguero, J. J. Org. Chem.
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Acknowledgements
18. Minkin, V. I.; Garnowskii, A. D.; Elguero, J.; Katritzky, A. R.;
Denisko, O. V. Adv. Heterocycl. Chem. 2000, 76, 157–323.
19. Begtrup, M.; Boyer, G.; Cabildo, P.; Cativiela, C.; Claramunt,
This work was supported by DGES/MEyC (BQU2003-
01251 and CTQ2006-02586 and CTQ2006-14487-C02-01)
of Spain. One of us (M.A.G.) is indebted to MEyC-
UNED-BRUKER ESPANOLA S. A. for a postdoctoral con-
tract.
˜
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R. M.; Elguero, J.; Garcıa, J. I.; Toiron, C.; Vedsø, P. Magn.
Reson. Chem. 1993, 31, 107–168.
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Supplementary data
€
21. Holzer, W.; Jager, C.; Slatin, C. Heterocycles 1994, 38,
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Supplementary data associated with this article can be found
22. Trofimenko, S.; Rheingold, A. L.; Liable-Sands, L. M.;
Claramunt, R. M.; Lꢀopez, C.; Santa Marꢀıa, M. D.; Elguero, J.
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