Inter-relationships between the geometrical parameters of the amino group in several para-substituted anilines

Journal of Molecular Structure: THEOCHEM

Volumn 493, Issue , 1999, Pages 171-177

  Palafox, M Alcolea ^a   Melendez, F J ^b  

^a UNIVERSIDAD COMPLUTENSE DE MADRID   (Spain)

^b BENEMÉRITA UNIVERSIDAD AUTÓNOMA DE PUEBLA   (Mexico)

Author keywords

Ab initio methods; Semiempirical methods; Substituted anilines

Indexed keywords

ANILINE DERIVATIVE;

CHEMICAL STRUCTURE; CONFERENCE PAPER; ELECTRON DIFFRACTION; GEOMETRY; MATHEMATICAL ANALYSIS; MATHEMATICAL COMPUTING; THEORY;

EID: 0010466103     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(99)00237-7     Document Type: Conference Paper

References (29)

1. D.G. Lister, J.K. Tyler, J.H. Hog, N.W. Larsen, J. Mol. Struct. 23 (1974) 253.
2. G. Roussy, A. Nonat, J. Mol. Spectrosc. 118 (1986) 180.
3. M. Fukuyo, K. Hirotsu, T. Higuchi, Acta Crystallogr 38B (2) (1982) 640.
4. M. Quack, M. Stockburger, J. Mol. Spectrosc. 43 (1972) 87.
5. N.W. Larsen, E.L. Hansen, F.M. Nicolaisen, Chem. Phy. Lett. 43 (1976) 584.
6. J. Pyka, M. Kreglewski, J. Mol. Spectrosc. 109 (1985) 207.
7. W.E. Sinclair, D.W. Pratt, J. Chem. Phy. 105 (1996) 7942.
8. M. Colapietro, A. Domenicano, G. Portalone, G. Schultz, I. Hargittai, J. Phys. Chem. 91 (1987) 1728.
9. M. Hargittai, I. Hargittai, J. Chem. Phy. 59 (1973) 2513.
10. Z. Niu, J.E. Boggs, J. Mol. Struct. (Theochem) 109 (1984) 381.
11. D.A. Smith, C.W. Ulmer II, M.J. Gilbert, J. Comput. Chem. 13 (5) (1992) 640.
12. Y. Wang, S. Saebø, C.U. Pittman, J. Mol. Struct. (Theochem) 281 (1993) 91.
13. M.J.S. Dewar, E.G. Zoebisch, E.F. Healy, J.J.P. Stewart, J. Am. Chem. Soc. 107 (1985) 3902.
14. M.J.S. Dewar, C. Jie, J. Yu, Tetrahedron 49 (23) (1993) 5003.
15. AMPAC5.0, Semichem Inc., 7128 Summit, Shawnee, KS 66216, USA.
16. J.M. Seminario, P. Politzer (Eds.), Modern Density Functional Theory: A Tool for Chemistry, 2, Elsevier, Amsterdam, 1995.
17. M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, M.A. Robb, J.R. Cheeseman, T. Keith, G.A. Petersson, J.A. Montgomery, K. Raghavachari, M.A. Al-Laham, V.G. Zakrzewski, J.V. Ortiz, J.B. Foresman, J. Cioslowski, B.B. Stefanov, A. Nanayakkara, M. Challacombe, C.Y. Peng, P.Y. Ayala, W. Chen, M.W. Wong, J.L. Andres, E.S. Replogle, R. Gomperts, R.L. Martin, D.J. Fox, J.S. Binkley, D.J. Defrees, J. Baker, J.P. Stewart, M. Head-Gordon, C. Gonzalez, J.A. Pople, GAUSSIAN94, Gaussian, Inc., Pittsburgh, PA, USA, 1995.
18. A.P. Scott, L. Radom, J. Phys. Chem. 100 (1996) 16 502.
19. M. Alcolea Palafox, Recent Res. Dev. Phys. Chem. 2 (1998) 213.
20. M. Alcolea Palafox, F.J. Meléndez, J. Mol. Struct. (Theochem) 459 (1999) 239.
21. I.W. Linnett, Trans. Faraday Soc. 41 (1945) 223.
22. V.E. Borisenko, E.I. Tuchkova, Spectrosc. Lett. 27 (6) (1994) 741.
23. V.E. Borisenko, E.I. Greseva, E.V. Dukhnova, I.V. Nacheva, J. Mol. Struct. 324 (1994) 199.
24. L.J. Bellamy, R.L. Williams, Spectrochim. Acta 9 (1957) 341.
25. J.E. Stewart, J. Chem. Phys. 30 (1959) 1259.
26. S.F. Mason, J. Chem. Soc. (1958) 3619.
27. P.J. Krueger, H.W. Thompson, Proc. R Soc. Lond. A250 (1959) 22.
28. P.J. Krueger, H.W. Thompson, Proc. R Soc. Lond. 243A (1957) 143.
29. M.V. Fraile, C. Sigüenza, P.F. González-Diaz, Spectrochim. Acta 42A (9) (1986) 1029.