A comparative effect of ring annelation on cation-benzene and anion-benzene

Journal of Molecular Structure: THEOCHEM

Volumn 900, Issue 1-3, 2009, Pages 103-109

  Yuan, Xiao Li ^a   Zhang, Hong ^a   Xie, Fang Jun ^a,b  

^a SICHUAN UNIVERSITY   (China)

^b Shanghai Public Security Bureau   (China)

Author keywords

Anion; Cation; Mulliken; NICS; Ring annelation

Indexed keywords

EID: 62649096676     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2008.12.042     Document Type: Article

References (44)

1. Ma J.C., and Dougherty D.A. Chem. Rev. 97 (1997) 1303
2. Amicangelo J.C., and Armentrout P.B. J. Phys. Chem. A 104 (2000) 11420
3. Dougherty D.A. Science 271 (1996) 163
4. Sussman J.L., et al. Science 253 (1991) 872
5. Gokel G.W., De Wall S.L., and Meadows E.S. Eur. J. Org. Chem. 65 (2000) 2967
6. Cabarcos O.M., Weinheimer C.J., and Lisy J.M. J. Chem. Phys. 108 (1998) 5151
7. Cabarcos O.M., Weinheimer C.J., and Lisy J.M. J. Chem. Phys. 110 (1999) 8429
8. Dougherty D.A., and Lester H.A. Nature 411 (2001) 252
9. Kim D., Hu S., Tarakeshwar P., Kim K.S., and Lisy J.M. J. Phys. Chem. A 107 (2003) 1228
10. Petrie S.J. Phys. Chem. A 106 (2002) 7034
11. Hoyau S., Norrman K., McMahon T.B., and Ohanessian G. J. Am. Chem. Soc. 121 (1999) 8864
12. Lu Y.X., Zou J.W., Wang Y.H., and Yu Q.S. Int. J. Quantum Chem. 107 (2007) 1479
13. Hassan A., Dinadayalane T.C., and Leszczynski J. Chem. Phys. Lett. 443 (2007) 205
14. X.L. Yuan, X.L. Cheng, X.F. Su, Int. J. Quantum Chem., in press, doi:10.1002/qua.21903.
15. Gal J.F., Maria P.C., Mó O., Yáñez M., and Kuck D. Chem. Eur. J. 12 (2006) 7676
16. Mó O., Yáñez M., Gal J.F., Maria P.C., and Decouzon M. Chem. Eur. J. 9 (2003) 4330
17. Gal J.F., Maria P.C., Decouzon M., Mó O., and Yáñez M. Int. J. Mass Spectrom. 219 (2002) 445
18. Gal J.F., Maria P.C., Decouzon M., Mó O., Yáñez M., and Abboud J.L.M. J. Am. Chem. Soc. 125 (2003) 10394
19. Güell M., Poater J., Luis J.M., Mó O., Yáñez M., and Solà M. ChemPhysChem. 6 (2005) 2552
20. Priyakumar U.D., and Sastry G.N. Tetrahedron Lett. 44 (2003) 6043
21. Vijay D., and Sastry G.N. Phys. Chem. Chem. Phys. 10 (2008) 582
22. Quińonero D., Garau C., Rotger C., Frontera A., Ballester P., Costa A., and Deyà P.M. Angew. Chem. Int. Ed. 41 (2002) 3389
23. Alkorta I., Rozas I., and Elguero J. J. Am. Chem. Soc. 124 (2002) 8593
24. Mascal M., Armstrong A., and Bartberge M. J. Am. Chem. Soc. 124 (2002) 6274
25. Demeshko S., Dechert S., and Meyer F. J. Am. Chem. Soc. 126 (2004) 4508
26. Schottel B.L., Bacsa J., and Dunbar K.R. Chem. Commun. (2005) 46
27. Rosokha Y.S., Lindeman S.V., Rosokha S.V., and Kochi J.K. Angew. Chem. Int. Ed. 43 (2004) 4650
28. de Hoog P., Gamez P., Mutikainen I., Turpeinen U., and Reedijk J. Angew. Chem. Int. Ed. 43 (2004) 5815
29. Frontera A., Saczewski F., Gdaniec M., Dziemidowicz-Borys E., Kurland A., Deyá P.M., Quiñonero D., and Garau C. Chem. Eur. J. 11 (2005) 6560
30. Schottel B.L., Chifotides H.T., and Dunbar K.R. Chem. Soc. Rev. 37 (2008) 68
31. Quińonero D., Garau C., Frontera A., Ballester P., Costa A., and Deyà P.M. Chem. Phys. Lett. 359 (2002) 486
32. Garau C., Quińonero D., Frontera A., Costa A., Ballester P., and Deyà P.M. Chem. Phys. Lett. 370 (2003) 7
33. Garau C., Frontera A., Quińonero D., Ballester P., Costa A., and Deyà P.M. ChemPhysChem. 4 (2003) 1344
34. Garau C., Quiñonero D., Frontera A., Ballester P., Costa A., and Deyà P.M. New J. Chem. 27 (2003) 211
35. Garau C., Frontera A., Quińonero D., Ballester P., Costa A., and Deyà P.M. J. Phys. Chem. A 108 (2004) 9423
36. Kim D., Tarakeshwar P., and Kim K.S. J. Phys. Chem. A 108 (2004) 1250
37. Bader R.F.W. Chem. Rev. 91 (1991) 893
38. Frontera A., Quiñonero D., Costa A., Ballester P., and Deyà P.M. New J. Chem. 31 (2007) 556
39. Parr R.G., and Yang W. Density-Functional Theory of Atoms and Molecules (1989), Oxford University Press, Oxford, U.K
40. Becke A.D. J. Chem. Phys. 98 (1993) 5648
41. Boys S.B., and Bernardi F. Mol. Phys. 19 (1970) 553
42. Wolinski K., Hinton J.F., and Pulay P. J. Am. Chem. Soc. 112 (1990) 8251
43. Schleyer P.v.R., Maerker C., Dransfeld A., Jiao H., and Hommes N.J.v.E. J. Am. Chem. Soc. 18 (1996) 6317
44. M.J. Frisch et al., GAUSSIAN 03, Revision C.02; Gaussian, Inc., Wallingford CT (2004) 1.