A theoretical study of the unimolecular decomposition of N-chloro-α-amino acids in aqueous solution

Chemical Physics

Volumn 229, Issue 2-3, 1998, Pages 125-136

  Queralt, J J ^a   Safont, V S ^a   Moliner, V ^a   Andres J ^a  

^a UNIVERSITAT JAUME I   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000284906     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0301-0104(98)00043-3     Document Type: Article

References (60)

1. Schonberg A., Moulbacher R. Chem. Rev. 50:1952;261.
2. Stambro W.D., Smith W.D. Environ. Sci. Technol. 13:1979;446.
3. Friedman A.H., Morgulis S. J. Am. Chem. Soc. 58:1936;909.
4. Fox S.M., Bullock M.W. J. Am. Chem. Soc. 73:1951;2754.
5. Ingols R.S., Wyckoff H.A., Kethley T.W., Hasdgen H.W., Fincher E.L., Webrand J.C., Mandl J.E. Ind. Eng. Chem. 45:1953;996.
6. Hand V.C., Snyder M.P., Margerum D.W. J. Am. Chem. Soc. 105:1983;4022.
7. Antelo J.M., Arce F., Franco J., Rodriguez P., Varela A. Int. J. Chem. Kin. 20:1988;433.
8. Awad R., Hussain A., Crooks P.A. J. Chem. Soc., Perkin Trans. 2:1990;1233.
9. Antelo J.M., Arce F., Crugeiras J., Franco J., Varela A. Int. J. Chem. Kin. 22:1990;1271.
10. Armesto X.L., Canle M., Losada M., Santaballa J.A. Int. J. Chem. Kin. 25:1993;1.
11. Armesto X.L., Canle M., Losada M., Santaballa J.A. Int. J. Chem. Kin. 25:1993;331.
12. Armesto X.L., Canle M.L., Losada M., Santaballa J.A. J. Org. Chem. 59:1994;4659.
13. Andrés J., Queralt J.J., Safont V.S., Canle M., Santaballa J.A. J. Phys. Chem. 100:1996;3561.
14. Andrés J., Queralt J.J., Safont V.S., Canle M., Santaballa J.A. J. Phys. Org. Chem. 9:1996;371.
15. Queralt J.J., Safont V.S., Moliner V., Andrés J. Theor. Chim. Acta. 94:1996;247.
16. Queralt J.J., Safont V.S., Moliner V., Andrés J. Chem. Phys. Lett. 283:1998;294.
17. Breslow W. Acc. Chem. Res. 24:1991;159.
18. Tapia O. J. Math. Chem. 10:1992;139.
19. Onsager L. J. Am. Chem. Soc. 58:1936;1486.
20. C.J.F. Böttcher, Theory of Electric Polarization, vol. 1, Elsevier, Amsterdam, 1973.
21. C.J.F. Böttcher, P. Bordewijk, Theory of Electric Polarization, vol. 2, Elsevier, Amsterdam, 1978.
22. Cramer C.J., Truhlar D.G. Science. 256:1992;213.
23. Klamt A., Schürmann G.J. J. Chem. Soc., Perkin Trans. 22:1993;799.
24. Tomasi J., Persico M. Chem. Rev. 94:1994;2027.
25. Luque F.J., Orozco m., Bhadane P.K., Gadre S.R. J. Chem. Phys. 100:1994;6718.
26. Rivail J.L., Rinaldi D. Chem. Phys. 18:1976;233.
27. Rivail J.L., Terryn B. J. Chem. Phys. 79:1982;1.
28. Rinaldi D., Ruiz-López M.F., Rivail J.F. J. Chem. Phys. 78:1983;834.
29. Rivail J.L., Terryn B., Rinaldi D., Ruiz-López M.F. J. Mol. Struct. (Theochem). 120:1985;387.
30. Rivail J.L., Loos M., Thery V. Trends Ecol. Phys. Chem., Proc. Int. Workshop Ecol. Phys. Chem. 2:1992;17.
31. R. Rinaldi, R.R. Pappalardo, SCRFPAC, QCPE - Version 622, Indiana University, Bloomington, IN, 1992.
32. M.J. Frisch, G.W. Trucks, M. Head-Gordon, P.M.W. Gill, M.W. Wong, J.B. Foresman, B.G. Johnson, H.B. Schlegel, M.A. Robb, E.S. Replogle, R. Gomperts, J.L. Andres, K. Raghavachari, J.S. Binkley, C. Gonzalez, R.L. Martin, D.J. Fox, D.J. Defrees, J. Baker, J.J.P. Stewart, J.A. Pople, Gaussian 92, Revision A, Gaussian, Inc., Pittsburgh, PA, 1992.
33. Hariharan P.C., Pople J.A. Theor. Chim. Acta. 28:1973;213.
34. J.A. Pople, R.K. Nesbet, J. Chem. Soc. (1954) 571.
35. Roothaan C.C.J. Rev. Mod. Phys. 23:1960;179.
36. Schlegel H.B. J. Comput. Chem. 3:1982;214.
37. Schlegel H.B. J. Chem. Phys. 77:1982;3676.
38. Baker J. J. Comput. Chem. 7:1986;385.
39. Baker J. J. Comput. Chem. 8:1987;563.
40. Clark T., Chandrasekhar J., Spitznagel G.W., Schleyer P.v.R. J. Comput. Chem. 4:1983;294.
41. Yu D., Rauk A., Armstrong D.A. J. Am. Chem. Soc. 117:1995;1789.
42. R. Sustmann, W. Sicking, R. Huisgen, 117 (1995) 9679.
43. Jensen J.H., Gordon M.S. J. Am. Chem. Soc. 117:1995;8159.
44. Foresman J.B., Head-Gordon M., Pople J.A., Frisch M.J. J. Phys. Chem. 96:1992;135.
45. Pople J.A., Seeger R., Krishnan R. Int. J. Quant. Chem. Symp. 11:1977;149.
46. Krishnan R., Schlegel H.B., Pople J.A. J. Chem. Phys. 72:1980;4654.
47. Raghavachari K., Pople J.A. Int. J. Quant. Chem. 20:1981;167.
48. Moyano A., Pericàs M.A., Valentí A. J. Org. Chem. 54:1989;573.
49. Wiberg K.B. Tetrahedron. 24:1968;1083.
50. Reed A.E., Weinstock R.B., Weinhold F.J. J. Chem. Phys. 83:1985;735.
51. Reed A.E., Curtiss L.A., Weinhold F. Chem. Rev. 88:1988;899.
52. M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, M.A. Robb, J.R. Cheeseman, T.A. Keith, G.A. Petersson, J.A. Montgomery, M.A. 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. Andrés, 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, Gaussian 94, Gaussian, Inc., Pittsburgh, PA, 1995.
53. Antelo J.M., Arce F., Crugeiras J., Franco J., López F., Rodríguez P., Varela A. An. Quím. 87:1991;195.
54. M. Canle, Ph.D. Thesis, Universidad de La Coruña, La Coruña, 1994.
55. Stanton R.W., McIver J.V. Jr. J. Am. Chem. Soc. 97:1975;3632.
56. Varandas A.J.C., Formosinho S.J.F. J. Chem. Soc., Faraday Trans. 2:1986;282.
57. Lendvay G. J. Mol. Struct. (Teochem). 167:1988;331.
58. Lendvay G. J. Phys. Chem. 93:1989;4422.
59. R.A. More O'Ferrall, J. Chem. Soc. B (1970) 274.
60. Jencks W.P. Chem. Rev. 72:1972;705.