The role of cation-π interactions in ethylenic complexes: A theoretical NMR study

Chemical Physics Letters

Volumn 493, Issue 1-3, 2010, Pages 27-32

  Ebrahimi, Ali ^a   Khorassani, Mostafa Habibi ^a   Masoodi, Hamid Reza ^a  

^a UNIVERSITY OF SISTAN AND BALUCHESTAN   (Iran)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS SETS; ELECTRONIC EFFECTS; NMR DATA; NMR STUDIES;

POSITIVE IONS;

COMPLEXATION;

EID: 77954215195     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2010.04.064     Document Type: Article

References (46)

1. J.C. Ma, and D.A. Dougherty Chem. Rev. 97 1997 1303
2. A. Rimola, L.R. Santiago, and M. Sodupe J. Phys. Chem. B 110 2006 24189
3. J.-M. Lehn Supermolecular Chemistry 1995 VCH Weinheim
4. J. Yoon, S.K. Kim, N.J. Singh, and K.S. Kim Chem. Soc. Rev. 35 2006 355
5. E.A. Meyer, R.K. Castellano, and F. Diederich Angew. Chem., Int. Ed. 42 2003 1210
6. G.P. Lopinski, D.D.M. Wayner, and R.A. Wolkow Nature 406 2000 48
7. A. Frontera, D. Quiñonero, C. Garau, A. Costa, P. Ballester, and P.M. Dey J. Phys. Chem. A 110 2006 9307
8. D. Kim, E.C. Lee, K.S. Kim, and P. Tarakeshwar J. Phys. Chem. A 111 2007 7980
9. E.S. Meadows, S.L. De Wall, L.J. Barbour, and G.W. Gokel J. Am. Chem. Soc. 123 2001 3092
10. R.A. Kumpf, and D.A. Dougherty Science 261 1993 1708
11. J.P. Gallivan, and D.A. Dougherty Proc. Natl. Acad. Sci. USA 96 1999 9459
12. G.K. Fukin, S.V. Lindeman, and J.K. Kochi J. Am. Chem. Soc. 124 2002 8329
13. B.H. Hong, S.C. Bae, C.W. Lee, S. Jeong, and K.S. Kim Sciences 294 2001 348
14. D. Kim, S. Hu, P. Tarakeshwar, K.S. Kim, and J.M. Lisy J. Phys. Chem. A 107 2003 1228
15. A.S. Reddy, and G.N. Sastry J. Phys. Chem. A 109 2005 8893
16. C.K. Kim, H. Zhang, S.H. Yoon, J. Won, M.J. Lee, and C.K. Kim J. Phys. Chem. A 113 2009 513
17. D. Feller, D.A. Dixon, and J.B. Nicholas J. Phys. Chem. A 104 2000 11414
18. D. Feller Chem. Phys. Lett. 322 2000 543
19. A. Pullman, G. Berthier, and R. Savinelli J. Mol. Struct. (Theochem) 537 2001 163
20. A. Mohajeri, and E. Karimi J. Mol. Struct. (Theochem) 774 2006 71
21. S.D. Zarić Chem. Phys. 256 2000 213
22. A. Alex, and T. Clark J. Am. Chem. Soc. 114 1992 506
23. J.E. Del Bene, and J. Elguero J. Phys. Chem. A 109 2005 10759
24. J.E. Del Bene, and J. Elguero J. Magn. Reson. Chem. 45 2007 714
25. A. Ebrahimi, M. Habibi, H.R. Masoodi, and A.R. Gholipour Chem. Phys. 355 2009 67
26. J.W. Emsley, M. Longeri, D. Merlet, G. Pileio, and N. Suryaprakash J. Magn. Reson. 180 2006 245
27. H.R. Masoodi, A. Ebrahimi, and M. Habibi Chem. Phys. Lett. 483 2009 43
28. J.E. Del Bene, I. Alkorta, and J. Elguero J. Phys. Chem. A 112 2008 6338
29. A. Ebrahimi, M. Habibi, and H.R. Masoodi Chem. Phys. Lett. 478 2009 120
30. M.J. Frisch et al., Gaussian 03 (Revision B.03), Gaussian Inc., Pittsburgh, PA, 2003.
31. V.N. Staroverov, G.E. Scuseria, J. Tao, and J.P. Perdew J. Chem. Phys. 119 2003 12129
32. C. Møller, and M.S. Plesset Phys. Rev. 46 1934 618
33. S.F. Boys, and F. Bernardi Mol. Phys. 19 1970 553
34. T. Helgake, M. Watson, and N.C. Handy J. Chem. Phys. 113 2000 9402
35. V. Sychrovský, J. Gräfenstein, and D. Cremer J. Chem. Phys. 113 2000 3530
36. F.A. Hamprecht, A.J. Cohen, D.J. Tozer, and N.C. Handy J. Chem. Phys. 109 1998 6264
37. Y. Zhao, and D.G. Truhlar J. Chem. Theory Comput. 1 2005 415
38. Y. Zhao, N. González-Garcia, and D.G. Truhlar J. Phys. Chem. A 109 2005 2012
39. R.F.W. Bader Atoms in Molecules: A Quantum Theory 1990 Oxford University Press Oxford
40. F. Biegler König, and J. Schönbohm J. Comput. Chem. 23 2002 1489
41. E. Lewars Computational Chemistry: Introduction to the Theory and Applications of Molecular and Quantum Mechanics 2003 Kluwer Academic Publishers
42. A.E. Reed, L.A. Curtiss, and F. Weinhold Chem. Rev. 88 1988 899
43. E.D. Glendening, A.E. Reed, J.E. Carpenter, F. Weinhold, NBO Version 3.1, Theoretical Chemistry Institute, University of Wisconsin, Madison, 1990.
44. D.L. Pavia, G.M. Lampman, and G.S. Kriz Introduction to Spectroscopy third edn. 2007 Thomson Brooks/Cole Press
45. S. Klod, and E. Kleinpeter J. Chem. Soc., Perkin Trans. 2 2001 1893
46. C.S. Wannere, and P.V.R. Schleyer Org. Lett. 5 2003 605