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Evaluation of Molecular Quadrupole Moments

KRISHNAJI and VINOD PRAKASH

KRISHNAJI and VINOD PRAKASH

  • Physics Department, University of Allahabad, Allahabad, India

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Rev. Mod. Phys. 38, 690 – Published 1 October, 1966

DOI: https://doi.org/10.1103/RevModPhys.38.690

Abstract

Knowledge of the molecular quadrupole moments may be used to propose a better model for the structure of the molecule and could also provide a crucial test for the accuracy of the trial wave functions that are used in other molecular calculations. A general survey of the different methods available for the evaluation of molecular quadrupole moments has been made and their relative merits and demerits have been discussed. It is suggested that the quadrupole moments determined by the microwave linewidth data are probably more reliable. The quadrupole moments of different molecules known to data have been tabulated.

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References (115)

  1. A. D. Buckingham, Quart. Rev. 13, 183 (1959)
  2. R. J. W. LeFevre, Dipole Moments (Methuen and Co., Ltd., London, 1953)
  3. J. W. Smith, Electric Dipole Moments (Butterworths Scientific Publications, Ltd., London, 1955)
  4. P. Debye, Polar Molecules (Dover Publications, Inc., New York, 1947)
  5. C. P. Smyth, Dielectric Behavior and Structure (McGraw-Hill Book Co., Inc., New York, 1955)
  6. A. D. Buckingham, J. Chem. Phys. 30, 1580 (1959)
  7. P. Debye, Physik. Z. 22, 302 (1921)
  8. A. D. Buckingham and R. L. Disch, Proc. Roy. Soc. (London) A273, 275 (1963)
  9. C. A. Coulson, Proc. Cambridge Phil. Soc. 38, 210 (1942)
  10. C. C. J. Roothaan, Rev. Mod. Phys. 23, 69 (1951)
  11. J. C. Slater, Quantum Theory of Molecules and Solids (McGraw-Hill Book Co., Inc., New York, 1963), Vol. 1
  12. R. S. Mulliken, Rev. Mod. Phys. 32, 232 (1960)
  13. S. F. Boys, Proc. Roy. Soc. (London) A200, 542 (1950)
  14. J. Lennard-Jones, Proc. Roy. Soc. (London) A198, 14 (1949)
  15. J. Lennard-Jones and J. A. Pople, Proc. Roy. Soc. (London) A202, 166 (1950)
  16. J. A. Pople, Proc. Roy. Soc. (London) A202, 323 (1950)
  17. A. B. F. Duncan and J. A. Pople, Trans. Faraday Soc. 49, 217 (1953)
  18. A. D. Buckingham and J. A. Pople, Proc. Phys. Soc. (London) A68, 905 (1955)
  19. J. O. Hirschfelder, C. F. Curtiss, and R. B. Bird, Molecular Theory of Gases and Liquids (John Wiley & Sons, Inc., New York, 1954), p. 131
  20. J. A. Pople, Proc. Roy. Soc. (London) A221, 498 (1954) ibid.A221, 508 (1954)
  21. S. Kielich, Physica 28, 511 (1962)
  22. A. D. Buckingham and J. A. Pople, Trans. Faraday Soc. 51, 1173 (1953)
  23. J. O. Hirschfelder, C. F. Curtiss, and R. B. Bird, Ref. 24, p. 32
  24. J. O. Hirschfelder, C. F. Curtiss, and R. B. Bird, Ref. 24, pp. 1114-1115
  25. J. O. Hirschfelder, C. F. Curtiss, and R. B. Bird, Ref. 24, p. 984
  26. F. London, J. Phys. Chem. 46, 305 (1942)
  27. K. E. Maccormack and W. G. Schneider, J. Chem. Phys. 18, 1269 (1950)
  28. A. Michels, W. De Graaff, and C. A. TenSeldam, Physica 26, 393 (1960)
  29. E. G. Butcher and R. S. Dadson, Proc. Roy. Soc. (London) A277, 448 (1964)
  30. C. H. Townes and A. L. Schawlow, Microwave Spectroscopy (McGraw-Hill Book Co., Inc., New York, 1955), p. 336
  31. P. W. Anderson, Ph.D. thesis, Harvard University, Cambridge, Massachusetts (1949) Phys. Rev. 76, 647 (1949)
  32. M. Baranger, Phys. Rev. 111, 481 (1958)
  33. M. Baranger, Phys. Rev. 111, 494 (1958)
  34. M. Baranger, Phys. Rev. 112, 855 (1958)
  35. A. C. Kolb and H. Griem, Phys. Rev. 111, 514 (1958)
  36. Oldwig von Roos, Proceedings of the Fifth International Conference on Ionization Phenomena in Gases, Munich, 1961 (North-Holland Publ. Co., Amsterdam, 1962), pp. 913-24
  37. A. Ohno, J. Phys. Soc. Japan 16, 2402 (1961)
  38. U. Fano, Phys. Rev. 131, 259 (1963)
  39. A. Di Giacomo, Nuovo Cimento 34, 473 (1964)
  40. C. J. Tsao and B. Curnutte, Jr., J. Quant. Spectry. Radiative Transfer 2, 41 (1962)
  41. C. H. Townes and A. L. Schawlow, Ref. 35, p. 20
  42. Krishnaji, S. Chandra, and S. L. Srivastava, J. Chem. Phys. 41, 409 (1964)
  43. W. S. Benedict and R. Herman, J. Quant. Spectry. Radiative Transfer 3, 265 (1963)
  44. W. S. BenedictR. HermanResearch Report No. 3, Microwave Laboratory, Physics Department, University of Allahabad, Allahabad, India (1964)
  45. Krishnaji and S. L. Srivastava, J. Chem. Phys. 41, 2266 (1964)
  46. Krishnaji and S. L. Srivastava, J. Chem. Phys. 42, 1546 (1965)
  47. Krishnaji and S. L. Srivastava, J. Chem. Phys. 43, 1345 (1965)
  48. E. U. Condon and G. H. Shortley, The Theory of Atomic Spectra (Cambridge University Press, Cambridge, Mass., 1963), pp. 76-77
  49. C. H. Townes and A. L. Schawlow, Ref. 30, Chap. 15
  50. W. Gordy, W. V. Smith, and R. F. Trambarulo, Microwave Spectroscopy (John Wiley & Sons, Inc., New York, 1953)
  51. S. Chandra, D. Phil. thesis, Physics Department, University of Allahabad, Allahabad, India (1962)
  52. E. A. Rinehart and C. C. Lin, Rev. Sci. Instr. 32, 562 (1961)
  53. A. Ben Reuven, S. Kimel, M. A. Hirschfeld, and J. H. Jaffe, J. Chem. Phys. 35, 955 (1961)
  54. A. Ben Reuven, H. Freidmann, and J. H. Jaffe, J. Chem. Phys. 38, 3021 (1963)
  55. J. Fiutak and J. Van Kranendonk, Can. J. Phys. 40, 1085 (1962)
  56. J. Fiutak and J. Van Kranendonk, Can. J. Phys. 41, 21 (1963)
  57. J. Van Kranendonk, Can. J. Phys. 41, 433 (1963)
  58. J. H. Van Vleck, Theory of Electric and Magnetic Susceptibilities (Oxford University Press, New York, 1932), p. 275
  59. N. F. Ramsey, Phys. Rev. 78, 221 (1950)
  60. N. F. Ramsey, Phys. Rev. 58, 226 (1940) ibid.87, 1075 (1952)
  61. Landolt-Bornstein, Zahlenwerte und Functionen (Springer-Verlag, Berlin, 1951), Band 1, Teil 3, p. 536
  62. N. J. Harrick and N. F. Ramsey, Phys. Rev. 88, 228 (1952)
  63. D. R. Johnston, G. J. Oudemans, and R. H. Cole, J. Chem. Phys. 33, 1310 (1960)
  64. A. D. Buckingham and J. A. Pople, Trans. Faraday Soc. 51, 1029 (1955)
  65. A. D. Buckingham and J. A. Pople, J. Chem. Phys. 27, 820 (1957)
  66. R. W. Zwanzig, J. Chem. Phys. 25, 211 (1956) ibid.27, 821 (1957)
  67. L. Jansen, Phys. Rev. 112, 434 (1958)
  68. D. R. Johnston and R. H. Cole, J. Chem. Phys. 36, 318 (1962)
  69. J. P. Colpa and J. A. A. Ketelaar, Mol. Phys. 1, 14 (1958)
  70. Z. J. Kiss, Gush, and H. L. Welsh, Can. J. Phys. 37, 362 (1959)
  71. A. A. Maryott and G. Birnbaum, J. Chem. Phys. 36, 2026 (1962)
  72. G. Birnbaum and A. A. Maryott, J. Chem. Phys. 36, 2032 (1962)
  73. A. A. Maryott and S. J. Kryder, J. Chem. Phys. 41, 1580 (1964)
  74. G. K. Pandey (to be published)
  75. S. L. Srivastava and V. Prakash, J. Chem. Phys. 42, 3738 (1965)
  76. E. N. Lassettre and L. B. Dean, J. Chem. Phys. 17, 317 (1949)
  77. H. M. James and A. S. Coolidge, Astrophys. J. 87, 438 (1938)
  78. C. A. Coulson, Proc. Cambridge Phil. Soc. 34, 204 (1938)
  79. Massey and R. A. Buckingham, Proc. Roy. Irish Acad. A45, 31 (1938)
  80. W. Kolos and C. C. J. Roothaan, Rev. Mod. Phys. 32, 219 (1960)
  81. E. Corinaldesi and G. Hurford, Phys. Letters 9, 135 (1964)
  82. R. H. Orcutt, J. Chem. Phys. 39, 605 (1963)
  83. W. V. Smith and R. Howard, Phys. Rev. 79, 132 (1950) [revised according to W. V. Smith, J. Chem. Phys. 25, 510 (1956)]
  84. H. Feeny, W. Madigosky, and R. Winters, J. Chem. Phys. 27, 898 (1957)
  85. J. P. Kolpa and J. A. A. Ketelaar, Mol. Phys. 1, 343 (1958)
  86. B. Th. Berendts, Ph.D. thesis, Catholic University of Nijmegen, Denmark (1966)
  87. C. W. Scherr, J. Chem. Phys. 23, 569 (1955)
  88. R. K. Nesbet, J. Chem. Phys. 40, 3619 (1964)
  89. L. Jansen, A. Michels, and J. M. Lupton, Physica 20, 1235 (1954)
  90. A. D. Buckingham, J. Chem. Phys. 23, 412 (1955)
  91. W. S. Benedict and L. D. Kaplan, J. Chem. Phys. 30, 388 (1959)
  92. Krishnaji and S. Chandra, J. Chem. Phys. 38, 232 (1963)
  93. J. Van Kranendonk, Physica 24, 347 (1958)
  94. J. D. Poll, Phys. Letters 7, 32 (1963)
  95. J. A. A. Ketelaar and R. P. H. Rettschnick, Mol. Phys. 7, 191 (1963-64)
  96. J. O. Artman, D. Phil. thesis, Columbia University (1953)
  97. R. S. Anderson, W. V. Smith, and W. Gordy, Phys. Rev. 82, 264 (1951)
  98. M. Mizushima, Phys. Rev. 83, 94 (1951)
  99. W. S. Benedict and L. D. Kaplan, J. Quant. Spectry. Radiative Transfer 4, 453 (1964)
  100. S. L. Srivastava, D. Phil. thesis, Physics Department, University of Allahabad, India (1966)
  101. W. M. Huo, J. Chem. Phys. 43, 624 (1965)
  102. R. M. Hill and W. V. Smith, Phys. Rev. 82, 451 (1951) [revised according to W. V. Smith, J. Chem. Phys. 25, 510 (1956)]
  103. D. R. Eaton and H. W. Thompson, Proc. Roy. Soc. (London) A251, 475 (1959)
  104. W. C. Hamilton, J. Chem. Phys. 25, 1283 (1956)
  105. A. D. King, Jr., J. Chem. Phys. 42, 2610 (1965)
  106. A. D. Buckingham, Trans. Faraday Soc. 52, 747 (1956)
  107. Krishnaji and S. Chandra, J. Chem. Phys. 38, 1019 (1963)
  108. W. V. Smith, H. A. Lackner, and A. B. Volkov, J. Chem. Phys. 23, 389 (1955) ibid.23, 1559 (1955)
  109. M. L. Sage (private communication)
  110. R. K. Nesbet, J. Chem. Phys. 41, 100 (1964)
  111. A. D. Buckingham and J. A. Pople, Trans. Faraday Soc. 51, 1179 (1955)
  112. R. M. Glaeser and C. A. Coulson, Trans. Faraday Soc. 61, 389 (1965)
  113. F. O. Ellison and H. Shull, J. Chem. Phys. 23, 2348 (1955)
  114. R. McWeeny and A. Ohno, Proc. Roy. Soc. (London) A255, 367 (1960)
  115. J. S. Rowlinson, Trans. Faraday Soc. 47, 120 (1951)

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Rev. Mod. Phys. 38, 690– Published 1 October, 1966

    © 1966 American Physical Society

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