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Dependence of the bond length in molecules and crystals on coordination numbers of atoms

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Abstract

Two approaches to the description of changes in the bond length in molecules and crystals with changing coordination number of atoms are studied. They are based on a difference or ratio of interatomic distances when the structure is changed. The second approach is shown to yield more accurate results. The change in the interatomic distances in polar compounds has the same character as the change in the ionic radii when coordination numbers are varied.

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References

  1. A. Werner, Z. Anorg. Chem., 3, 267–330 (1893).

    Article  Google Scholar 

  2. P. Pfeiffer, Z. Anorg. Allgem. Chem., 92, 376–380 (1915).

    Article  CAS  Google Scholar 

  3. V. M. Goldschmidt, Skr. Nor. Vidensk. Akad. Oslo, 8, 7–23 (1927).

    Google Scholar 

  4. L. Pauling, J. Am. Chem. Soc., 51, 1010–1026 (1929).

    Article  CAS  Google Scholar 

  5. L. Pauling, ibid., 69, 542–553 (1947).

    Article  CAS  Google Scholar 

  6. F. Zocchi, Solid State Sciences, 2, 383–387 (2000).

    Article  CAS  Google Scholar 

  7. I. D. Brown, The Chemical Bond in Inorganic Chemistry: The Bond Valence Model, Oxford Univ. Press, Oxford (2002).

    Google Scholar 

  8. I. D. Brown and R. D. Shannon, Acta Crystallogr., A29, 266–282 (1973).

    Google Scholar 

  9. W. H. Zachariasen, J. Less-Common Met., 62, 1–7 (1978).

    Article  CAS  Google Scholar 

  10. I. D. Brown and D. Altermatt, Acta Crystallogr., B41, 244–247 (1985).

    CAS  Google Scholar 

  11. F. Zocchi, Chem. Phys. Lett., 421, 277–280 (2006).

    Article  CAS  Google Scholar 

  12. V. Sidey, Acta Crystallogr., B65, 99–101 (2009).

    CAS  Google Scholar 

  13. J. L. Jules and J. R. Lombardi, J. Phys. Chem., A107, 1268–1273 (2003).

    Google Scholar 

  14. D. G. Pettifor, Bonding and Structures of Molecules and Solids, Clarendon Press, Oxford (1995).

    Google Scholar 

  15. N. E. Brese and M. O’Keeffe, Acta Crystallogr., B47, 192–197 (1991).

    CAS  Google Scholar 

  16. A. Trzescowska, R. Kruszynski, and T. J. Bartczak, ibid., B60, 174–178 (2004); B62, 745–753 (2006).

    Google Scholar 

  17. V. A. Efremov, Usp. Khim., 59, 1085–1110 (1990).

    CAS  Google Scholar 

  18. V. S. Urusov, Acta Crystallogr., B51, 641–649 (1995).

    CAS  Google Scholar 

  19. S. Nag, K. Banerjee, and D. Datta, New J. Chem., 31, 832–834 (2007).

    Article  CAS  Google Scholar 

  20. S. Hull and P. Berastegui, J. Phys. Cond. Matter., 10, 7945–7956 (1998).

    Article  CAS  Google Scholar 

  21. L. V. Gurvich, Yu. S. Ezhov, E. L. Osina, and E. A. Shenyavskaya, Zh. Fiz. Khim., 73, 401–414 (1999).

    CAS  Google Scholar 

  22. A. Belsky, M. Hellenbrandt, V. L. Karen, and P. Luksch, Acta Crystallogr., B58, 364–369 (2002); J. A. Kaduk, ibid., 370–379.

    CAS  Google Scholar 

  23. S. S. Batsanov, J. Struct. Chem., 46, 304–312 (2005).

    Article  Google Scholar 

  24. S. S. Batsanov, Experimental Foundations of Structural Chemistry, Moscow Univ. Press, Moscow (2008).

    Google Scholar 

  25. L. M. Reynard, C. J. Evans, and M. C. L. Gerry, J. Mol. Spectroscop., 205, 344–346 (2001).

    Article  CAS  Google Scholar 

  26. T. Yagi, J. Phys. Chem. Solids, 39, 563–571 (1978).

    Article  CAS  Google Scholar 

  27. A. M. Hofmeister, Phys. Rev., B56, 5835–5855 (1997).

    Google Scholar 

  28. K. Ghandehari, H. Luo, A. L. Ruoff, et al., Phys. Rev. Lett., 74, 2264–2267 (1995).

    Article  CAS  Google Scholar 

  29. C. W. Bauschlicher and H. Partridge, Chem. Phys. Lett., 342, 441–446 (2001).

    Article  CAS  Google Scholar 

  30. A. J. Bridgeman and J. Rothery, J. Chem. Soc., Dalton., 211–218 (2000).

  31. J. M. Thompsen and L. M. Ziurys, Chem. Phys. Lett., 344, 75–84 (2001).

    Article  CAS  Google Scholar 

  32. K. Aiuchi and K. Shibuya, J. Molec. Spectroscop., 204, 235–247 (2000).

    Article  CAS  Google Scholar 

  33. R. J. Winkel, S. P. Davis, and M. C. Abrams, Appl. Opt., 35, 2874–2878 (1996).

    Article  CAS  Google Scholar 

  34. G. Vaitheeswaran, V. Kanchana, S. Heathman, et al., Phys. Rev., B75, 184108 (2007).

    Google Scholar 

  35. A. A. Cooke and M. C. L. Gerry, J. Chem. Phys., 121, 3486 (2004).

    Article  CAS  Google Scholar 

  36. E. Gregoryanz, Ch. Sanloup, M. Somayazulu, et al., Nature Mater., 3, 294–297 (2004).

    Article  CAS  Google Scholar 

  37. S. Ono, T. Kikegawa, and Y. Ohishi, Solid State Comm., 133, 55–59 (2005).

    Article  CAS  Google Scholar 

  38. A. Shayesteh, S. Yu, and P. F. Bernath, Chem. Eur. J., 11, 4709–4712 (2005).

    Article  CAS  Google Scholar 

  39. M. D. Senin, V. V. Akhachinskii, Yu. E. Markushin, et al., Neorg. Mater., 29, 1582–1586 (1993).

    CAS  Google Scholar 

  40. S. L. Troyanov, Zh. Neorg. Khim., 45, 1619–1624 (2000).

    CAS  Google Scholar 

  41. M. Hostettler, H. Birkedal, and D. Schwarzenbach, Acta Crystallogr., B58, 903–913 (2002).

    CAS  Google Scholar 

  42. C. J. Howard, B. J. Kennedy, and C. Curfs, Phys. Rev., B72, 214114 (2005).

    Google Scholar 

  43. B. J. Kennedy and C. J. Howard, ibid., B70, 144102 (2004).

    Google Scholar 

  44. B. Reffy, C. J. Marsden, and M. Hargittai, J. Phys. Chem., A107, 1840–1849 (2003).

    Google Scholar 

  45. A. Kovacs and R. J. M. Konings, J. Phys. Chem. Ref. Data, 33, 377–404 (2004).

    Article  CAS  Google Scholar 

  46. L. Pauling, The Nature of the Chemical Bond. 3rd ed., Cornell Univ. Press, New York (1960).

    Google Scholar 

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Correspondence to S. S. Batsanov.

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Original Russian Text Copyright © 2010 by S. S. Batsanov

__________

Translated from Zhurnal Strukturnoi Khimii, Vol. 51, No. 2, pp. 295–300, March–April, 2010.

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Batsanov, S.S. Dependence of the bond length in molecules and crystals on coordination numbers of atoms. J Struct Chem 51, 281–287 (2010). https://doi.org/10.1007/s10947-010-0043-x

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  • DOI: https://doi.org/10.1007/s10947-010-0043-x

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