Theoretical and crystallographic study of edge-to-face aromatic interactions between pyridine moieties and benzene

Chemical Physics Letters

Volumn 468, Issue 4-6, 2009, Pages 280-285

  Escudero, Daniel ^a   Estarellas, Carolina ^a   Frontera, Antonio ^a   Quiñonero, David ^a   Deyà, Pere M ^a  

^a UNIVERSITAT DE LES ILLES BALEARS   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

AROMATIC COMPOUNDS; ATOMIC PHYSICS; BENZENE; HYDROGEN; HYDROGEN BONDS; PYRIDINE;

AB INITIO CALCULATIONS; AROMATIC INTERACTIONS; BENZENE RINGS; CAMBRIDGE STRUCTURAL DATABASES; COVALENT INTERACTIONS; CRYSTALLOGRAPHIC STUDIES; EXPERIMENTAL EVIDENCES; HYDROGEN BONDINGS; LONG DISTANCES; NITROGEN ATOMS; PARTITION SCHEMES; PYRIDINE MOIETIES;

FLOW INTERACTIONS;

EID: 58149389791     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2008.12.007     Document Type: Article

References (49)

1. Meyer E.A., Castellano R.K., and Diederich F. Angew. Chem. Int. Ed. 42 (2003) 1210
2. Burley S.K., and Petsko G.A. Science 229 (1985) 23
3. Hunter C.A., and Sanders J.K.M. J. Am. Chem. Soc. 112 (1990) 5525
4. Chakrabarti P., and Samanta U. J. Mol. Biol. 251 (1995) 9
5. Samanta U., and Chakrabarti P. Protein Eng. 14 (2001) 7
6. Macias M., Wiesner S., and Sudol M. FEBS Lett. 513 (2002) 30
7. Chelli R., Gervasio F.L., Procacci P., and Schettino V. J. Am. Chem. Soc. 124 (2002) 6133
8. Meurisse R., Brausseur R., and Thomas A. Biochim. Biophys. Acta 1649 (2003) 86
9. Mitchell J.B., Nandi C.L., McDonald I.K., Thornton J.M., and Price S.L. J. Mol. Biol. 239 (1994) 315
10. Cauët E., Rooman M., Wintjens R., Liévin J., and Biot C. J. Chem. Theor. Comput. 1 (2005) 472
11. Vanommeslaeghe K., Mignon P., Loverix S., Tourwé D., and Geerlings P.J. J. Chem. Theor. Comput. 2 (2006) 1444
12. Sinnokrot M.O., and Sherrill C.D. J. Phys. Chem. A 107 41 (2003) 8377
13. Janowski T., and Pulay P. Chem. Phys. Lett. 447 (2007) 27
14. Garcia-Raso A., et al. Inorg. Chem. 46 (2007) 10724
15. Frontera A., Quiñonero D., Costa A., Ballester P., and Deyà P.M. New J. Chem. 31 (2007) 556
16. Quiñonero D., et al. ChemPhysChem 7 (2006) 2487
17. Quiñonero D., et al. Angew. Chem. Int. Ed. 41 (2002) 3389
18. Barrios L.A., et al. Inorg. Chem. 47 (2008) 5873
19. Zaccheddu M., Filippi C., and Buda F. J. Phys. Chem. A 112 (2008) 1627
20. Quiñonero D., et al. Theor. Chem. Acc. 120 (2008) 385
21. Bernstein F.C., et al. J. Mol. Biol. 112 (1977) 535
22. Escudero D., Frontera A., Quiñonero D., and Deyà P.M. J. Phys. Chem. A 112 (2008) 6017
23. Bader R.F.W. Chem. Rev. 91 (1991) 893
24. Cheeseman J.R., Carrol M.T., and Bader R.F.W. Chem. Phys. Lett. 143 (1998) 450
25. Koch U., and Popelier P.L.A. J. Phys. Chem. 99 (1995) 9794
26. Luque F.J., Lopez J.M., de la Paz M.L., Vicent C., and Orozco M. J. Phys. Chem. A 102 (1998) 6690
27. Luque F.J., and Orozco M. J. Comput. Chem. 19 (1998) 866
28. Hernández B., Orozco M., and Luque F.J. J. Comput-Aided Mol. Des. 11 (1997) 153
29. Luque F.J., and Orozco M. J. Chem. Soc. Perkin Trans. 2 (1993) 683
30. Ahlrichs R., Bär M., Hacer M., Horn H., and Kömel C. Chem. Phys. Lett. 162 (1989) 165
31. Feyereisen M.W., Fitzgeraldand G., and Komornicki A. Chem. Phys. Lett. 208 (1993) 359
32. Vahtras O., Almlof J., and Feyereisen M.W. Chem. Phys. Lett. 213 (1993) 514
33. Niklass A., Dolg M., Stoll H., and Preuss H. J. Chem. Phys. 102 (1995) 8942
34. Boys S.B., and Bernardi F. Mol. Phys. 19 (1970) 553
35. Berryman O.B., Bryantsev V.S., Stay D.P., Johnson D.W., and Hay B.P. J. Am. Chem. Soc. 129 (2007) 48
36. Maheswari P.U., et al. Inorg. Chem. 45 (2006) 6637
37. Antonisse M.M.G., Snellink-Ruel B.H.M., Yigit I., Engbersen J.F.J., and Reinhoudt D.N. J. Org. Chem. 62 (1997) 9034
38. Biegler-König F., Schönbohm J., and Bayles D. J. Comp. Chem. 22 (2001) 545
39. Scrocco E., and Tomasi J. Top. Curr. Chem. 42 (1973) 95
40. Orozco M., and Luque F.J. J. Comput. Chem. 14 (1993) 587
41. Francl M.M. J. Phys. Chem. 89 (1985) 428
42. Nangia A., Biradha K., and Desiraju G.R. J. Chem. Soc. Perkin Trans. 2 (1996) 943
43. Hatano B., Alkawa A., Tagaya H., and Takahashi H. Chem. Lett. 33 (2004) 1276
44. Bakshi P.K., Cameron T.S., and Knop O. Can. J. Chem. 74 (1996) 201
45. Zhao B.-T., Wang H., Zhang H.-Y., and Liu Y. J. Mol. Struct. 740 (2005) 101
46. Bowmaker G.A., Effendy P.C., Junk B.W., Skelton A.H., and White Z. Naturforsch. B: Chem. Sci. 59 (2004) 1277
47. Frontera A., et al. J. Phys. Chem. A 110 (2006) 9307
48. Fulton R.L., and Mixon S.T. J. Phys. Chem. 97 (1993) 7530
49. Espinosa E., Alkorta I., Elguero J., and Molins E. J. Chem. Phys. 117 (2002) 5529