Are nucleus-independent (NICS) and 1H NMR chemical shifts good indicators of aromaticity in π-stacked polyfluorenes?

Chemical Physics Letters

Volumn 428, Issue 1-3, 2006, Pages 191-195

  Osuna, Sílvia ^a   Poater, Jordi ^b   Bofill, Josep M ^c   Alemany, Pere ^c   Solà, Miquel ^a  

^a UNIVERSITY OF GIRONA   (Spain)

^b VU UNIVERSITY AMSTERDAM   (Netherlands)

^c UNIVERSITY OF BARCELONA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

MAGNETIC FIELDS; NUCLEAR MAGNETIC RESONANCE; POLYMERS; REDUCTION;

AROMATICITY; CHEMICAL SHIFTS; POLYFLUORENES;

ORGANIC COMPOUNDS;

EID: 33747794910     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2006.06.109     Document Type: Article

References (35)

1. Watson J.D., and Crick F.H.C. Nature 171 (1953) 737
2. Adams H., Hunter C.A., Lawson K.R., Perkins J., Spey S.E., Urch C.J., and Sanderson J.M. Chem. Eur. J. 7 (2001) 4863
3. Grimme W., Kaemmerling H.T., Lex J., Gleiter R., Heinze J., and Dietrich M. Angew. Chem., Int. Ed. Engl. 30 (1991) 205
4. Rathore R., Abdelwahed S.H., and Guzei I.A. J. Am. Chem. Soc. 125 (2003) 8712
5. Nakano T., and Yade T. J. Am. Chem. Soc. 125 (2003) 15474
6. Rathore R., Abdelwahed S.H., Kiesewetter M.K., Reiter R.C., and Stevenson C.D. J. Phys. Chem. B 110 (2006) 1536
7. Kim W.S., Kim J., Park J.K., Mukamel S., Rhee S.K., Choi Y.K., and Lee J.Y. J. Phys. Chem. B 109 (2005) 2686
8. Shurki A., Hiberty P.C., Dijkstra F., and Shaik S. J. Phys. Org. Chem. 16 (2003) 731
9. Mitchell R.H. Chem. Rev. 101 (2001) 1301
10. Wannere C.S., Corminboeuf C., Allen W.D., Schaeffer III H.F., and Schleyer P.v.R. Org. Lett. 7 (2005) 1457
11. Faglioni F., et al. Org. Lett. 7 (2005) 3457
12. Comrinboeuf C., Heine T., Seifer G., Schleyer P.v.R., and Weber J. Phys. Chem. Chem. Phys. 6 (2004) 273
13. Lazzeretti P. Phys. Chem. Chem. Phys. 6 (2004) 217
14. Poater J., Solà M., Duran M., and Fradera X. Chem. Eur. J. 9 (2003) 400
15. Poater J., Duran M., Solà M., and Silvi B. Chem. Rev. 105 (2005) 3911
16. Chen Z., Wannere C.S., Corminboeuf C., Puchta R., and Schleyer P.v.R. Chem. Rev. 105 (2005) 3842
17. Portella G., Poater J., Bofill J.M., Alemany P., and Solà M. J. Org. Chem. 70 (2005) 2509 erratum íbid, J. Org. Chem. 70 (2005) 4560
18. Katritzky A.R., Jug K., and Oniciu D.C. Chem. Rev. 101 (2001) 1421
19. Cyrański M.K., Krygowski T.M., Katritzky A.R., and Schleyer P.v.R. J. Org. Chem. 67 (2002) 1333
20. Kruszewski J., and Krygowski T.M. Tetrahedron Lett. 13 (1972) 3839
21. Schleyer P.v.R., Maerker C., Dransfeld A., Jiao H., and van Eikema Hommes N.J.R. J. Am. Chem. Soc. 118 (1996) 6317
22. Matito E., Duran M., and Solà M. J. Chem. Phys. 122 (2005) 014109
23. Tauer T.P., and Sherril C.D. J. Phys. Chem. A 109 (2005) 10475
24. Tsuzuki S., Honda K., Uchimaru T., Mikami M., and Tanabe K. J. Am. Chem. Soc. 124 (2002) 104
25. Frisch M.J., et al. Gaussian 03, Revison C.01 ed. (2003), Gaussian Inc., Pittsburgh, PA
26. Biegler-König F.W., Bader R.F.W., and Tang T.-H. J. Comput. Chem. 3 (1982) 317
27. Sebastiani D. ChemPhysChem 7 (2006) 164
28. Johnson C.E., and Bovey F.A. J. Chem. Phys. 29 (1958) 1012
29. Poater J., Bofill J.M., Alemany P., and Solà M. J. Org. Chem. 71 (2006) 1700
30. Mitchell R.H. Chem. Rev. 101 (2001) 1301
31. Cyrański M.K. Chem. Rev. 105 (2005) 3773
32. * level.
33. Havenith R.W.A., et al. J. Am. Chem. Soc. 124 (2002) 2363
34. Gettins P., Givol D., and Dwek R.A. Biochem. J. 173 (1978) 713
35. Ashton P.R., Philp D., Spencer N., Stoddart J.F., and Williams D.J. J. Chem. Soc., Chem. Commun. (1994) 181