Proximity effects on nuclear spin-spin coupling constants. Part 2. - The electric field effect on 1J(CH) couplings

Journal of the Chemical Society - Faraday Transactions

Volumn 92, Issue 17, 1996, Pages 3029-3033

  Giribet, Claudio G ^a,c   Vizioli, Celia V ^a   Ruiz De Azúa, Martin C ^a,c   Contreras, Rubén H ^a,c   Dannenberg, Joseph J ^b   Masunov, Artem ^b  

^a UNIVERSIDAD DE BUENOS AIRES   (Argentina)

^b CITY UNIVERSITY OF NEW YORK   (United States)

^c Argentine Research Council

Author keywords

[No Author keywords available]

Indexed keywords

EID: 33749152593     PISSN: 09565000     EISSN: None     Source Type: Journal    
DOI: 10.1039/FT9969203029     Document Type: Article

References (42)

1. C. Vizioli, M. C. Ruiz de Azúa, C. G. Giribet, R. H. Contreras, L. Turi, J. J. Dannenberg, I. D. Rae, J. A. Weigold, M. Malagoli, R. Zanasi and P. Lazzeretti, J. Phys. Chem., 1994, 98, 8858.
2. R. D. Green, Hydrogen Bonding by C-H Groups, Macmillan, London, 1973.
3. F. A. S. N. Murthy and C. N. R. Rao, Appl. Spectrosc. Rev., 1968, 2, 69.
4. L. Turi and J. J. Dannenberg, J. Phys. Chem., 1993, 97, 7899.
5. J. M. Cense, V. Aganov, R. Ceolin, P. Ladure and N. Rodier, Struct. Chem., 1994, 5, 79.
6. T. Steiner, J. Chem. Soc., Chem. Commun., 1994, 2341.
7. C. V. K. Sharma and G. R. Desiraju, J. Chem. Soc., Perkin Trans. 2, 1994, 2345.
8. L. Turi and J. J. Dannenberg, J. Phys. Chem., 1995, 99, 639.
9. M. M. Szczesniak, G. Chalasinski, S. M. Cybulski and P. Cieplak, J. Chem. Phys., 1993, 98, 3078.
10. L. Turi and J. J. Dannenberg, Chem. Mater., 1994, 6, 1313.
11. L. Turi and J. J. Dannenberg, J. Phys. Chem., 1993, 97, 12197.
12. L. Turi and J. J. Dannenberg, J. Am. Chem. Soc., 1994, 115, 8714.
13. L. Vinson and J. J. Dannenberg, J. Am. Chem. Soc., 1989, 111, 2777.
14. G. R. Desiraju, Acc. Chem. Reson., 1991, 24, 290.
15. G. Gilli, F. Bellucci, V. Ferretti and V. Bertolasi, J. Am. Chem. Soc., 1989, 111, 1023.
16. V. Bertolasi, P. Gilli, V. Ferretti and G. Gilli, J. Am. Chem. Soc., 1991, 113, 4917.
17. G. Gilli, V. Bertolasi, V. Ferretti and P. Gilli, Acta Crystallogr., Sect. B, 1993, 49, 564.
18. T. Neuheuser, B. A. Hess, C. Reutel and E. Weber, J. Phys. Chem., 1994, 98, 6459.
19. P. L. A. Popelier and R. F. W. Bader, Chem. Phys. Lett., 1992, 189, 542.
20. T. Steiner, J. Chem. Soc., Perkin Trans. 2, 1995, 1315.
21. B. F. King and F. Weinhold, J. Chem. Phys., 1995, 103, 333.
22. A. V. Afonin and M. A. Andriyankov, Zh. Org. Khim., 1988, 24, 1034.
23. A. V. Afonin, M. V. Sigalov, S. E. Korustova, I. A. Aliev, A. V. Vashchenko and B. A. Trofimov, Magn. Reson. Chem., 1990, 28, 580.
24. H. Satonaka, K. Abe and M. Hirota, Bull. Chem. Soc. Jpn., 1987, 60, 953.
25. H. Satonaka, K. Abe and M. Hirota, Bull. Chem. Soc. Jpn., 1988, 61, 2031.
26. A. R. Engelmann and R. H. Contreras, Int. J. Quantum Chem., 1983, 23, 1033.
27. M. C. Ruiz de Azua, A. C. Diz, C. G. Giribet, R. H. Contreras and I. D. Rae, Int. J. Quantum Chem., 1986, S20, 585.
28. A. C. Diz, C. G. Giribet, M. C. Ruiz de Azúa and R. H. Contreras, Int. J. Quantum Chem., 1990, 37, 663.
29. R. H. Contreras, M. C. Ruiz de Azúa, C. G. Giribet, G. A. Aucar and R. Lobayan de Bonczok, J. Mol. Struct. Theochem, 1993, 284, 249.
30. P. Lazzeretti and R. Zanasi, J. Chem. Phys., 1982, 77, 2448.
31. P. Lazzeretti, Int. J. Quantum Chem., 1979, 15, 181.
32. P. Lazzeretti, J. Chem. Phys., 1979, 71, 2514.
33. C. V. McCurdy Jr., T. N. Rescigno, D. L. Yaeger and V. McKoy, in Methods of Electronic Structure Theory, ed. H. F. Schaefer III, Plenum, New York, 1977, vol. 3, p. 339.
34. W. J. Hehre, R. Ditchfield and J. A. Pople, J. Chem. Phys., 1972, 56, 2257.
35. P. O. Löwdin, Phys. Rev. A, 1965, 139, 357.
36. Program Gaussian 92, Revision E.2, 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 and J. A. Pople, Gaussian Inc., Pittsburgh, PA, 1992.
37. Calculated in this work, with the program GAMESS, M. W. Schmidt, J. A. Boatz, K. K. Baldridge, S. Koseki, M. S. Gordon, S. T. Elbert and B. Lam, QCPE Bull., 1987, 7, 115.
38. A. Meunier, B. Levy and G. Berthier, Theor. Chim. Acta, 1973, 29, 49.
39. S. F. Boys and F. Benardi, Mol. Phys., 1970, 19, 553.
40. I. Mayer and P. R. Surjan, Chem. Phys. Lett., 1992, 191, 497.
41. L. Turi and J. J. Dannenberg, J. Phys. Chem., 1993, 97, 2488.
42. S. Scheiner, in Reviews in Computational Chemistry, ed. K. K. B. Lipkowitz and D. B. Boyd, VCH Publishers Inc., New York 1991, vol. 2, ch. 5, p. 165.