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Conformational analysis in inorganic chemistry: Semi-empirical quantum calculation vs. experiment

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New Theoretical Aspects

Part of the book series: Structure and Bonding ((STRUCTURE,volume 35))

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References

  1. Kuczkowski, R. L., Lide, D. R.: J. Chem. Phys. 46, 357 (1967)

    Article  CAS  Google Scholar 

  2. Pople, J. A., Beveridge, D. L.: Approximate Molecular Orbital Theory. New York: McGraw-Hill 1970

    Google Scholar 

  3. Labarre, J.-F., Leibovici, C.: Internal. J. Quantum Chem. 6, 625 (1972)

    Article  CAS  Google Scholar 

  4. Pasinski, J. P., Kuczkowski, R. L.: J. Chem. Phys., 54, 1903 (1971)

    Article  CAS  Google Scholar 

  5. Labarre, J.-F., Leibovici, C.: J. Chim. Phys., Fr. 69, 404 (1972)

    CAS  Google Scholar 

  6. Crasnier, F., Labarre, J.-F., Leibovici, C.: J. Mol. Struct. 14, 405 (1972)

    Article  CAS  Google Scholar 

  7. Bach-Chevaldonnet, M.-C., Crasnier, F., Labarre, J.-F., Leibovici, C.: 20, 141 (1974)

    Google Scholar 

  8. Bryan, P. S., Kuczkowski, R. L.: Inorg. Chem. 11, 553 (1972)

    Article  CAS  Google Scholar 

  9. Gropen, O., Seip, H. M.: Chem. Phys. Lett. 11, 445 (1971)

    Article  CAS  Google Scholar 

  10. Perahia, D., Pullman, A.: Chem. Lett. 19, 73 (1973)

    Article  CAS  Google Scholar 

  11. Cf. Pople, J. A., 0 Gordon, M. S.: 07 J. Amer. Chem. Soc. 89, 4253 (1967); Gordon, M. S.: J. Amer. Chem. Soc. 91, 3122 (1969)

    Article  Google Scholar 

  12. Malrieu, J.-P.: J. Chim. Phys. Fr. 73, 319 (1976); Gregory, A. R., Paddon-Row, N. N.: J. Amer. Chem. Soc., 98, 7521 (1976)

    CAS  Google Scholar 

  13. Bach, M.-C., Crasnier, F., Labarre, J.-F., Leibovici, C.: J. Mol. Struct. 16, 89 (1973)

    Article  CAS  Google Scholar 

  14. Robinet, G., Leibovici, C., Labarre, J.-F.: Chem. Phys. Lett. 15, 90 (1972)

    Article  CAS  Google Scholar 

  15. Corosine, M., Crasnier, F., Labarre, M.-C., Labarre, J.-F., Leibovici, C.: Chem. Phys. Lett. 20, 111 (1973)

    Article  CAS  Google Scholar 

  16. Bach, M.-C., Labarre, J.-F., Leibovici, C.: J. Chim. Phys. Fr. 70, 1181 (1973)

    Google Scholar 

  17. Craig, D. P.: Chem. Ind. 3 (1958) Craig, D. P., Paddock, N. L.: Nature 181, 1052 (1958); Craig, D. P., Hefferman, M. L., Mason, R., Paddock, N. L.: J. Chem. Soc., 1376 (1961). Heffernan, M. L., Mason, R., Paddock, N. L.: J. Chem. Soc., 1376 (1961)

    Google Scholar 

  18. Dewar, M. J. S., Lucken, E. A. C., Whitehead, M. A.: J. Chem. Soc., 2423 (1960)

    Google Scholar 

  19. Faucher, J.-P., Devanneaux, J., Leibovici, C., Labarre, J.-F.: J. Mol. Struct. 10, 439 (1971)

    Article  CAS  Google Scholar 

  20. Faucher, J.-P., Glemser, O., Labarre, J.-F., Shaw, R. A.: C. R. Acad. Sci. (Paris) 279 C, 441 (1974)

    Google Scholar 

  21. Wiberg, K. A.: Tetrahedron 24, 1083 (1968)

    Article  CAS  Google Scholar 

  22. Crasnier, F., Labarre, J.-F.: Topics in Current Chem. 24, 33 (1971)

    Google Scholar 

  23. Armstrong, D. R., Longmuir, G. H., Perkins, P. G.: Chem. Commun. 464 (1972)

    Google Scholar 

  24. Faucher, J.-P., Labarre, J. F.: Phosphorus 3, 265 (1974)

    CAS  Google Scholar 

  25. Cassoux, P., Labarre, J.-F., Glemser, O., Koch, W.: J. Mol. Struct. 13, 405 (1972)

    Article  CAS  Google Scholar 

  26. Pelissier, M., Labarre, J.-F., Vilkov, L. V., Golubinsky, A. V., Mastryukov, V. S.: J. Chim. Phys., Fr. 71, 702 (1974)

    CAS  Google Scholar 

  27. Emerson, G. F., Ehrlich, K., Giering, W. P., Lauterbur, P. C.: J. Amer. Chem. Soc. 88, 3172 (1966)

    Article  CAS  Google Scholar 

  28. Almenningen, A., Haaland, A., Wahl, K.: Acta Chem. Scand. 23, 1145 (1969)

    CAS  Google Scholar 

  29. Savariault, J.-M., Labarre, J.-F.: Inorg. Chim. Acta 19, L 53 (1976)

    Article  CAS  Google Scholar 

  30. Serafini, A., Savariault, J.-M., Cassoux, P., Labarre, J.-F.: Theoret. Chim. Acta (Berlin) 36, 241 (1975)

    Article  CAS  Google Scholar 

  31. Serafini, A., Pelissier, M., Savariault, J.-M., Cassoux, P., Labarre, J.-F.: Theoret. Chim. Acta (Berlin) 39, 229 (1975)

    CAS  Google Scholar 

  32. Savariault, J.-M., Serafini, A., Pelissier, M., Cassoux, P.: Theoret. Chim. Acta (Berlin) 42, 155 (1976)

    Article  CAS  Google Scholar 

  33. Savariault, J.-M., Labarre, J.-F.: Theoret. Chim. Acta (Berlin) 42, 207 (1976)

    Article  CAS  Google Scholar 

  34. Finseth, D. H., Sourisseau, C., Miller, F. A.: J. Phys. Chem. 80, 1248 (1976)

    Article  CAS  Google Scholar 

  35. Fitzpatrick, N. J., Savariault, J.-M., Labarre, J.-F.: J. Organometal. Chem. 127, 325 (1977)

    Article  CAS  Google Scholar 

  36. Savariault, J.-M.: unpublished results

    Google Scholar 

  37. Brown, D. A., Fitzpatrick, N. J., Manning, A. R.: J. Organometal. Chem. 102, C 29 (1975)

    Article  CAS  Google Scholar 

  38. Almenningen, A., Jacobsen, G. G., Seip, H. M.: Acta Chem. Scand. 23, 685 (1969)

    CAS  Google Scholar 

  39. Hargittai, M., Hargittai, i., Spiridonov, V. P., Pelissier, M., Labarre, J.-F.: J. MoL. Struct. 24, 27 (1975)

    Article  CAS  Google Scholar 

  40. Robinet, G., Leibovici, C., Labarre, J.-F.: Theoret. Chim. Acta 26, 257 (1972)

    Article  CAS  Google Scholar 

  41. Robinet, G., Crasnier, F., Labarre, J.-F.: Theoret. Chim. Acta 25, 259 (1972)

    Article  CAS  Google Scholar 

  42. Faucher, J.-P., Labarre, J.-F.: Advances in Mol. Relax. Processes 8, 169 (1976)

    Article  CAS  Google Scholar 

  43. Allcock, H. R., Bissell, E. C., Shawl, E. T.: Inorg. Chem. 12, 2963 (1973)

    Article  CAS  Google Scholar 

  44. Mani, N. V., Wagner, A. J.: Acta Cryst. B 27, 51 (1971)

    Article  CAS  Google Scholar 

  45. Shaw, R. A.: private communication 0 (1961)

    Google Scholar 

  46. Robinet, G., Labarre, J.-F., Leibovici, C.: Chem. Phys. Lett. 22, 356 (1973)

    Article  CAS  Google Scholar 

  47. Graffeuil, M., Labarre, J.-F., Leibovici, C.: J. Mol. Struct. 22, 97 (1974)

    Article  CAS  Google Scholar 

  48. Graffeuil, M., Labarre, J.-F., Leibovici, C.: J. Mol. Struct. 23, 65 (1974)

    Article  CAS  Google Scholar 

  49. Graffeuil, M., Labarre, J.-F., Lappert, M. F., Leibovici, C., Stelzer, O.: J. Chim. Phys. Fr. 72, 799 (1975)

    CAS  Google Scholar 

  50. Leibovici, C., Graffeuil, M., Labarre, J.-F.: J. Chim. Phys. Fr. 72, 272 (1975)

    CAS  Google Scholar 

  51. Graffeuil, M.: Thesis, Toulouse, France, 1976

    Google Scholar 

  52. Jano, I.: C. R. Acad. Sci. (Paris) 261, 103 (1965)

    CAS  Google Scholar 

  53. Drago, R. S., Wayland, B. B.: J. Amer. Chem. Soc. 87, 3571 (1965)

    Article  CAS  Google Scholar 

  54. Graffeuil, M., Labarre, J.-F.: J. Chim. Phys. Fr. 73, 1042 (1976)

    CAS  Google Scholar 

  55. Anderson, G. A., Forgaard, F. R., Haaland, A.: Chem. Commun. 480 (1971)

    Google Scholar 

  56. Drago, R. S., Vogel, G. C., Needham, T. E.: J. Amer. Chem. Soc. 93, 6014 (1971)

    Article  CAS  Google Scholar 

  57. Thiele, K. H.: Z. Anorg. Allg. Chem. 322, 72 (1963)

    Article  Google Scholar 

  58. Cf. Graham, W. A. G., Stone, F. G. A.: J. Inorg. Nucl. Chem. 3, 164 (1956)

    Article  Google Scholar 

  59. Baldwin, R. A., Washburn, R. M.: J. Org. Chem. 26, 3549 (1961)

    Article  CAS  Google Scholar 

  60. Young, D. E., McAchran, G. E., Shore, S. G.: J. Amer. Chem. Soc. 88, 4490 (1966)

    Google Scholar 

  61. Fridmann, S. A., Fehlner, T. P.: Phys. Chem. 75, 2711 (1971)

    Article  Google Scholar 

  62. Peterson, L. K., Wilson, C. L.: Canad. J. Chem. 49, 3171 (1971)

    Article  CAS  Google Scholar 

  63. Reetz, T., Katlafsky, B.: J. Amer. Chem. Soc. 82, 5036 (1960)

    Article  CAS  Google Scholar 

  64. Cf. Holmes, R. R., Carter, R. P.: Inorg. Chem. 2, 1146 (1963)

    Article  Google Scholar 

  65. Fleming, S., Parry, R. W.: Inorg. Chem. 11, 1 (1972)

    Article  CAS  Google Scholar 

  66. Jugie, G., Laussac, J.-P., Laurent, J.-P.: J. Inorg. Nucl. Chem. 32, 3455 (1970)

    Article  CAS  Google Scholar 

  67. Lunberg, K., Rowatt, R. J., Miller, N. E.: Inorg. Chem. 8, 1336 (1969)

    Article  Google Scholar 

  68. Jouany, C., Laurent, J.-P., Jugie, G.: J. Chem. Soc. (Dalton) 1510 (1974)

    Google Scholar 

  69. Durand, M., Jouany, C., Jugie, G., Elegant, L., Gal, J.-F.: J. Chem. Soc. (Dalton) 57 (1977)

    Google Scholar 

  70. Crasnier, F., Jouany, C., Jugie, G., Labarre, J.-F., Savariault, J.-M.: J. Chim. Phys. Fr. 73, 1036 (1976)

    CAS  Google Scholar 

  71. Bartell, L. S., Brockway, L. O.: J. Chem. Phys. 32, 512 (1960)

    Article  CAS  Google Scholar 

  72. Lide, D. R., Mann, D. E.: J. Chem. Phys. 28, 572 (1958)

    Article  CAS  Google Scholar 

  73. Cassoux, P., Kuczkowski, R. L., Bryan, P. S., Taylor, R. C.: Inorg. Chem. 14, 126 (1975)

    Article  CAS  Google Scholar 

  74. Savariault, J.-M, Labarre, J.-F.: unpublished results

    Google Scholar 

  75. Almenningen, A., Andersen, B., Astrup, E. E.: Acta Chem. Scand. 24, 1579 (1970)

    Article  CAS  Google Scholar 

  76. Marriott, J. C., Salthouse, J. A., Ware, M C., Freeman, J.: Chem. Commun. 595 (1970)

    Google Scholar 

  77. Kruck, T., Prasch, A.: Angew. Chem. 356, 118 (1968)

    CAS  Google Scholar 

  78. Cassoux, P.: unpublished results

    Google Scholar 

  79. Chiu, N.-S., Schäfer, L., Seip, R.: J. Organometal. Chem. 101, 331 (1975)

    Article  CAS  Google Scholar 

  80. Cf. Stelzer, O., Schmutzler, R.: J. Chem. Soc. 2867 (1971)

    Google Scholar 

  81. Corosine, M., Crasnier, F., Labarre, J.-F., Labarre, M.-C., Leibovici, C.: J. Mol. Struct. 22, 257 (1974)

    Article  CAS  Google Scholar 

  82. Corosine, M., Crasnier, F.: J. Mol. Struct. 27, 105 (1975)

    Article  CAS  Google Scholar 

  83. Sheldrick, W. S., Stelzer, O.: J. Chem. Soc. (Dalton) 926 (1973)

    Google Scholar 

  84. Ayed, N., Mathis, R., Burgada, R., Mathis, F.: C. R. Acad. Sci. (Paris) 278 C, 1085 (1974)

    Google Scholar 

  85. Mathis, R., Ayed, N., Charbonnel, Y., Burgada, R.: C. R. Acad. Sci. (Paris) 277 C, 493 (1973)

    Google Scholar 

  86. Mathis, R., Burgada, R., Sanchez, M.: Spectrochim. Acta 25 A, 1201 (1969)

    Google Scholar 

  87. Labarre, M.-C., Coustures, Y.: J. Chim. Phys. Fr. 70, 534 (1973)

    CAS  Google Scholar 

  88. Labarre, M.-C., Coustures, Y.: C. R. Acad. Sci. (Paris) 276 C, 133 (1973)

    Google Scholar 

  89. Csizmadia, L G., Cowley, A. H., Taylor, M. W., Tel, L. M., Wolfe, S.: Chem. Commun. 1147 (1972)

    Google Scholar 

  90. Csizmadia, L G., Cowley, A. H., Taylor, M. W., Wolfe, S.: Chem. Commun. 433 (1974)

    Google Scholar 

  91. Barthelat, M., Mathis, R., Labarre, J.-F., Mathis, F.: C. R. Acad. Sci. (Paris) 280C, 645 (1975)

    Google Scholar 

  92. Cf. Cowley, A. H., Dewar, M. J. S., Jackson, W. R., Jennings, W. B.: J. Amer. Chem. Soc. 92, 1085 (1970)

    Article  Google Scholar 

  93. Holywell, G. C., Rankin, D. W. H., Beagley, B., Freeman, J. M.: J. Chem. Soc. A 785 (1971)

    Google Scholar 

  94. Bach, M.-C., Brian, C., Labarre, J.-F., Leibovici, C., Dargelos, A.: J. Mol. Struct. 17, 23 (1973)

    Article  CAS  Google Scholar 

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Labarre, JF. (1978). Conformational analysis in inorganic chemistry: Semi-empirical quantum calculation vs. experiment. In: New Theoretical Aspects. Structure and Bonding, vol 35. Springer, Berlin, Heidelberg. https://doi.org/10.1007/3-540-08887-3_1

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  • DOI: https://doi.org/10.1007/3-540-08887-3_1

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