Theoretical study of the influence of para- and meta-substituents on X-pyridine⋯HF hydrogen bonding

Chemical Physics

Volumn 340, Issue 1-3, 2007, Pages 85-92

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

^a UNIVERSITY OF SISTAN AND BALUCHESTAN   (Iran)

Author keywords

AIM; Hammett coefficient; Hydrogen bond; Meta and para substituents; NBO; Pyridine

Indexed keywords

EID: 35548989277     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2007.08.012     Document Type: Article

References (30)

1. Caminati W., Moreschini P., and Favero P.G. J. Phys. Chem. A 102 (1998) 8097
2. Abadleh M., Peifer C., Kinkel K., Schollmeyer D., and Laufer S. Acta Cryst. 63 (2007) 1423
3. Ghosh K., and Masanta G. Supra. Chem. 17 (2005) 331
4. Caminati W., Favero L.B., Favero P.G., Maris A., and Melandri S. Angew. Chem., Int. Ed. Engl. 37 (1998) 792
5. Melandri S., Sanz M.E., Caminati W., Favero P.G., and Kisiel Z. J. Am. Chem. Soc. 120 (1998) 11504
6. Bene J.E.D., Bartlett R.J., and Elguero J. Magn. Reson. Chem. 40 (2002) 767
7. Tokarev I., Sydorenko A., Minko S., and Stamm M. Polym. Mat. Sci. Eng. 89 (2003) 115
8. Wilkens S.J., Westler W.M., Weinhold F., and Markley J.L. J. Am. Chem. Soc. 124 (2002) 9
9. Hobza P., and Havlas Z. Chem. Rev. 100 (2000) 4253
10. Ebrahimi A., Roohi H., Habibi M., Mohammadi M., and Vaziri R. Chem. Phys. 322 (2006) 289
11. Ebrahimi A., Roohi H., Habibi M., and Hasannejad M. Chem. Phys. 327 (2006) 368
12. Nishio M. Tetrahedron 61 (2005) 6923
13. Wang W., Zhang Y., and Huang K. Chem. Phys. Lett. 411 (2005) 439
14. Roy A.K., and Thakkar A.J. Chem. Phys. 312 (2005) 119
15. Wysokinski R., Biennko D.C., Michalska D., and Huyskens T.Z. Chem. Phys. 315 (2005) 17
16. Stankowski J., Maekowiak M., Koziol P., and Jadiyn J. J. Phys. Chem. 89 (1985) 3188
17. Koch U., and Popelier P.L.A. J. Phys. Chem. 99 (1995) 9747
18. Marczak W., Chowanska A., and Piwowarska B. J. Phys. IV France 129 (2005) 69
19. Hammett L.P. J. Am. Chem. Soc. 59 (1937) 96
20. Wiberg K. Physical Organic Chemistry (1964), John Wiley and Sons, New York, NY p. 278
21. Exner O., and Böhm S. J. Org. Chem. 67 (2002) 6320
22. Hartman J.S., Shoemaker J.A.W., Janzen A.F., Ragogna P.J., and Szerminski W.R. J. Fluorine Chem. 119 (2003) 125 and references therein
23. Frisch M.J., Trucks G.W., Schlegel H.B., Scuseria G.E., Robb M.A., Cheeseman J.R., Zakrzewski V.G., Montgomery Jr. J.A., Stratmann R.E., Burant J.C., Dapprich S., Millam J.M., Daniels A.D., Kudin K.N., Strain M.C., Farkas O., Tomasi J., Barone V., Cossi M., Cammi R., Mennucci B., Pomelli C., Adamo C., Clifford S., Ochterski J., Peterson G.A., Ayala P.Y., Cui Q., Morokuma K., Malick D.K., Rabuck A.D., Raghavachari K., Foresman J.B., Cioslowski J., Ortiz J.V., Stefanov B.B., Liu G., Liashenko A., Piskorz P., Komaromi I., Gomperts R., Martin R.L., Fox D.J., Keith T., Al-Laham M.A., Peng C.Y., Nanayakkara A., Gonzalez C., Challacombe M., Gill P.M.W., Johnson B., Chen W., Wong M.W., Andres J.L., Head-Gordon M., Replogle E.S., and Pople J.A. Gaussian 98 (1998), Gaussian 98 Inc., Pittsburgh, PA
24. Backe A.D. J. Chem. Phys. 98 (1993) 5648
25. MΦ{phonetic}ller C., and Plesset M.S. Phys. Rev. 46 (1934) 618
26. Bader R.F.W. Atoms in Molecules: A Quantum Theory (1990), Oxford University Press, Oxford
27. Biegler König F.W., Schönbohm J., and Bayles D. J. Comput. Chem. 22 (2001) 545
28. Reed A.E., Curtiss L.A., and Weinhold F. Chem. Rev. 88 (1988) 899
29. E.D. Glendening, A.E. Reed, J.E. Carpenter, F. Weinhold, NBO Version 3.1.
30. Isaacs N.S. Physical Organic Chemistry. second ed. (1995), Longman, London