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The effect of deuteration on the bond length and ν (AH) vibrational frequency of a hydrogen bond

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Literature cited

  1. N. D. Sokolov and V. A. Savel'ev, “The dynamics of a two-dimensional model of the hydrogen bond and the interrelationship between the frequency of v (AH) vibrations and the equilibrium A-H and A...B distances,” Teor. Eksp. Khim., 13, No. 3, 291–302 (1977).

    Google Scholar 

  2. A. Novak, “Hydrogen bonding in solids,” in: J. D. Dunitz et al. (editors), Structure and Bonding, Vol. 18, Springer Verlag, Berlin-Heidelberg-New York (1974), p. 177.

    Google Scholar 

  3. G. C. Pimentel and A. L. McClellan, The Hydrogen Bond, Freeman, San Francisco (1960).

    Google Scholar 

  4. W. C. Hamilton and J. A. Ibers, Hydrogen Bonding in Solids, W. A. Benjamin, New York-Amsterdam (1968).

    Google Scholar 

  5. K. J. Gallagher, “The isotope effect in relation to bond length in hydrogen bonds in crystals,” in: D. Hadzi (editor), Hydrogen Bonding, Ljubljana Symposium, Pergamon Press, London-New York- Paris-Los Angeles (1959), p. 48.

    Google Scholar 

  6. I. Olovsson and P.-G. Jönsson, “X-ray and neutron diffraction studies of hydrogen bonded systems,” in: P. Schuster et al. (editor), The Hydrogen Bond, North Holland Publ. Co., Amsterdam (1976).

    Google Scholar 

  7. V. A. Savel'ev and N. D. Sokolov, “The nature of the isotopic change of the length of hydrogen bonds,” Teor. Eksp. Khim., 8, No. 5, 598–603 (1972).

    Google Scholar 

  8. Y. Marechal, “Anharmonicity of the hydrogen stretching vibration in H-bonds,” Chem. Phys. Lett., 13, No. 3, 237–240 (1972).

    Google Scholar 

  9. C. C. Costain and G. P. Srivastava, “Microwave rotation spectra of hydrogen-bonded molecules,” J. Chem. Phys., 41, No. 6, 1620–1627 (1964).

    Google Scholar 

  10. D. H. W. Dickson and A. R. Ubbelode, “H-bond in crystals. VIII. Isotope effect in KH2AsO4,” Acta Cryst., 3, 6 (1950).

    Google Scholar 

  11. G. D. Brunton and C. K. Johnson, “A neutron diffraction study of the diaquohydronium ion in yttrium oxalate trihydrate,” J. Chem. Phys., 62, 3797 (1975).

    Google Scholar 

  12. J. C. Taylor and T. M. Sabine, “Isotope and bonding effect in ammonium oxalate monohydrate, determined by the combined use of neutron and x-ray diffraction analyses,” Acta Cryst., B28, 3340 (1972).

    Google Scholar 

  13. V. A. Savel'ev and N. D. Sokolov, “The anomalous isotope effect for the frequency of v (AH) stretching vibrations in strong A-H...B bonds,” Dokl. Akad. Nauk SSSR, 221, No. 5, 1122–1125 (1975).

    Google Scholar 

  14. C. Sandorfy and A. Planckaert, “Hydrogen bonding in the case of self-associated fluoroalcohols,” Canad. J. Chem., 50, No. 2, 296–298 (1972).

    Google Scholar 

  15. K. G. Delaplane, J. A. Ibers, J. R. Ferraro, and J. J. Rush, “Diffraction and spectroscopic studies of the cobaltic acid system HCoO2-DCoO2,” J. Chem. Phys., 50, No. 5, 1920 (1969).

    Google Scholar 

  16. L. J. Bellamy and R. J. Pace, “Hydrogen bonding in carboxylic acids, I. Oxalic acids,” Spectrochim Acta, 19, No. 2, 435–442 (1963).

    Google Scholar 

  17. R. L. Redington and K. C. Lin, “On OH stretching and the low-frequency vibrations of carboxylic acid cyclic dimers,” J. Chem. Phys., 54, No. 9, 4111–4119 (1971).

    Google Scholar 

  18. S. E. Odinokov, “Study of the hydrogen bonds of carboxylic acids with basis by IR spectroscopy,” Abstract of Candidate's Dissertation, Moscow State University, Moscow (1970).

    Google Scholar 

  19. S. E. Odinokov and A. V. Iogansen, “Torsional γ(OH) vibrations, Fermi resonance [2γ(OH) ↔ (OH)] and isotopic effects in the IR spectra of H-complexes of carboxylic acids with strong bases,” Spectrochim. Acta, 28A, No. 12, 2343–2350 (1972).

    Google Scholar 

  20. E. Spinner, “Strongly hydrogen-bonded molecular solids with ‘highly anomalous’ infrared OH absorption. The effect of O-deuteration,” Austral. J. Chem., 27, No. 6, 1149–1160 (1974).

    Google Scholar 

  21. B. V. Rassadin and A. V. Iogansen “The intensity of v(AH) IR bands and the hydrogen bond. III,” Zh. Prikl. Spektrosk., 10, No. 2, 290 (1969).

    Google Scholar 

  22. L. A. Dement'eva, A. V. Iogansen, and G. A. Kurkchi, “Proof of the Fermi resonance nature of the structure of the IR bands of stretching vibrations of NH and ND groups in hydrogen bond complexes,” Opt. Spektrosk., 29, No. 5, 868–875 (1970).

    Google Scholar 

  23. S. Detoni, D. Hadzi, R. Smerkolj, J. Hawranek, and L. Sobzyk, “Hydrogen bonding in some adducts of oxygen bases with acids. VI,” J. Chem. Soc., A, No. 17, 2851–2859 (1970).

    Google Scholar 

  24. A. A. Mashkovskii, “Study of strong hydrogen bonds of H-complexes of carboxylic acids,” Author's Abstract of Candidate's Dissertation, Vladivostok (1974).

  25. V. P. Glasunov, A. A. Mashkovskii (Mashkovsky), and S. E. Odinokov, “Anomalous isotopic frequency ratio of the stretching v(NH+) vibrations in ion pairs,” Spectrosc. Lett., 9, 391 (1976).

    Google Scholar 

  26. J. Almlöf, “Hydrogen bond studies. 71. Ab initio calculation of the vibrational structure and equilibrium geometry in HF2 and DF2 ,” Chem. Phys. Lett., 17, No. 1, 49 (1972).

    Google Scholar 

  27. J. A. Ibers, “Potential function for the stretching region in potassium acid fluoride,” J. Chem. Phys., 41, No. 1, 25–39 (1964).

    Google Scholar 

  28. G. Picotin, T. Roziere, J. Potier, and A. Potier, “Spectros copie de vibration de dihydrates des acides complexes HSbCl6, HGaCl4, HGaBr4 etude d'ions H5O5 + peu engages,” Adv. Mol. Relax. Proc., 7, 177 (1975).

    Google Scholar 

  29. P. A. Kollman and L. C. Allen, “Theory of the hydrogen bond,” J. Chem. Phys., 52, No. 10, 5085–5094 (1970).

    Google Scholar 

  30. H. Lishka, “Ab initio calculation on intermolecular forces. III,” J. Am. Chem. Soc., 95, No. 19, 4761 (1974).

    Google Scholar 

  31. L. A. Curtiss and J. A. Pople, “Ab initio calculation of the vibrational force field of the water dimer,” J. Mol. Spectrosc., 55, 1 (1975).

    Google Scholar 

  32. J. C. Dearden, “Rectilinear correlation between OH stretching frequency and O...O distance,” Nature, 206, 1147 (1965).

    Google Scholar 

  33. N. D. Sokolov, “The hydrogen bond and proton transfer processes,” Dokl. Akad. Nauk SSSR, 60, No. 5, 825–828 (1948).

    Google Scholar 

  34. N. D. Sokolov, “The hydrogen bond,” Usp. Fiz. Nauk, 57, No. 2, 205–278 (1955).

    Google Scholar 

  35. T. R. Singh and J. L. Wood, “Isotope effect on the hydrogen bond length,” J. Chem. Phys., 50, No. 8, 3572–3578 (1969).

    Google Scholar 

  36. A. S. Davydov, Quantum Mechanics [in Russian], Fizmatgiz, Moscow (1963).

    Google Scholar 

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Translated from Teoreticheskaya i Éksperimental'naya Khimiya, Vol. 13, No. 3, pp. 303–315, May–June, 1977.

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Sokolov, N.D., Savel'ev, V.A. The effect of deuteration on the bond length and ν (AH) vibrational frequency of a hydrogen bond. Theor Exp Chem 13, 227–236 (1978). https://doi.org/10.1007/BF00520364

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  • DOI: https://doi.org/10.1007/BF00520364

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