Stereoisomer discrimination in complexes of halogen-substituted difuranes and Li or Na cations

Journal of Physical Chemistry A

Volumn 110, Issue 49, 2006, Pages 13310-13316

  Rozas, Isabel ^a   Alkorta, Ibon ^b   Elguero, José ^b  

^a TRINITY COLLEGE DUBLIN   (Ireland)

^b INSTITUTO DE QUÍMICA MÉDICA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

BINARY MIXTURES; COMPLEXATION; HALOGEN COMPOUNDS; ISOMERS; POSITIVE IONS; SUBSTITUTION REACTIONS;

DIHALOGEN BIFURANES; HETEROCHIRAL SYSTEMS; HOMOCHIRAL COMPLEXES; METALLIC CATIONS;

STEREOCHEMISTRY;

CATION; FURAN DERIVATIVE; LITHIUM; SODIUM;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; MACROMOLECULE; QUANTUM THEORY; STEREOISOMERISM;

CATIONS; FURANS; LITHIUM; MACROMOLECULAR SUBSTANCES; MODELS, MOLECULAR; MOLECULAR CONFORMATION; QUANTUM THEORY; SODIUM; STEREOISOMERISM;

EID: 33846069240     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp064386x     Document Type: Article

References (32)

1. Kennedy, D.; Norman, C. Science 2005, 309, 78.
2. Eliel, E. L.; Wilen, S. H. Stereochemistry of Organic Compounds Wiley: New York, 1994; p 154.
3. Speranza, M. Adv. Phys. Org. Chem. 2004, 39, 147.
4. Speranza, M.; Satta, M.: Piccirillo, S.; Rondino, F.; Paladini, A.; Giardini, A.; Filippi, A.; Catone, D. Mass Spectrum. Rev. 2005, 24, 588.
5. Alkorta, I.; Picazo, O.; Elguero, J. Curr. Org. Chem. 2006, 10, 695.
6. Folmer-Andersen, J. F.; Lynch, V. M.; Anslyn, E. V. J. Am. Chem. Soc. 2005, 127, 7986
7. Cucciolito, M. E.: Flores, G.: Vitagliano, A. Organnmetallics 2004, 23, 15.
8. Jodry, J. J.; Frantz, R.; Lacour, J. Inorg. Chem. 2004, 43, 3329.
9. Picazo, O.: Alkorta, I.: Elguero, J.; Sundberg, M. R. Inorg. Chem. Commun. 2006, 9, 712.
10. Alkorta, I.; Picazo, O.; Elguero, J. J. Phys. Chem. A 2005, 109, 9573.
11. Frisch, M. J. et al. Gaussian 98. Revision A.5; Gaussian, Inc.: Pittsburgh, PA, 1998.
12. Frisch, M. J. et al. Gaussian 03, Gaussian, Inc.: Wallingford CT, 2004.
13. (a) Becke, A. D. J. Chem. Phys. 1993, 98, 5648.
14. (b) Lee, C.: Yang, W.; Parr, R. G. Phys. Ret: B 1988, 37, 785.
15. Hariharan, P. A.: Pople, J. A. Theor. Chim. Acta 1973, 28, 213.
16. Boys, S. B.; Bernardi, F. Mol. Phys. 1970, 19, 553.
17. (a) Bader, R. F. W. Atoms in Molecules. A Quantum Theory; Oxford University: New York. 1990.
18. (b) Bieger-Konig, F. W.; Bader, R. F. W.; Tang, T. H. J. Comput. Chem. 1980, 27, 1924.
19. Popelier, P. L. A. with a contribution from Bone, R. G. A. MORPHY98. a topological analysis program: UMIST: Manchester. UK, 1999.
20. Alkorta, I.: Picazo, O. Arkivoc 2005, IX, 305.
21. Reed, A. E.; Curtiss, L. A.; Weinhold, F. Chem. Rev. 1988, 88, 899.
22. Bradshaw, S. J. S., Izatt, R. M.; Bordunov, A. V.; Zhu. C. Y.; Hathaway, J. K. Crown Ethers. In Comprehensive Supramolecular Chemsitry: Gokel, G. W., Ed.; Pergamon Press: 1996: Vol. 1.
23. Al-Rusaese, S.; Al-Kahtani, A. A.; El-Azhary, A. A. J. Phys. Chem. A 2006.
24. Kim, J.; Lee, S.; Cho, S. J.; Mhin. B. J.; Kim, K. S. J. Phys. Chem. 1995, 102, 839.
25. Vicens, M. C.; Lopez, G. E. J. Comput. Chem. 2000, 21, 63.
26. Allred, A. L. J. Inorg. Nucl. Chem. 1961, 17, 215.
27. (a) Alkorta, I.: Rozas, I.; Elguero, J. J. Struct. Chem. 1998, 9, 243.
28. (b) Alkorta, I.: Barrios, L.; Rozas, I.: Elguero, J. J. Mol. Struct. 2000, 496, 131.
29. (c) Espinosa, E.: Alkorta. I.; Elguero, J.; Molins, E. J. Chem. Phys. 2002, 117, 5529.
30. Pauling, L. The nature of the chemical bond, 2nd ed.; Cornell University Press: Ithaca, NY, 1945.
31. (a) Rozas, I.; Aikorta, I.; Elguero, J. J. Phys. Chem. B 2004, 108, 3335.
32. (b) Rozas, I.; Alkorta, I.; Elguero, Org. Biomol. Chem. 2005, 3, 366.