Skip to main content
Log in

Investigation of the IR spectra of weakly hydrogen-bonded complex Cl3CH…O(CD3)2 in a cryosolution in liquid krypton

  • Condensed-Matter Spectroscopy
  • Published:
Optics and Spectroscopy Aims and scope Submit manuscript

Abstract

The IR absorption spectra of cryosolutions of chloroform, dimethyl ether, and their mixtures in liquefied krypton have been measured. It has been shown that, in solutions of mixtures, Cl3CH…O(CD3)2 complexes with a weak hydrogen bond are formed. The spectral characteristics of individual absorption bands that refer to proton donors and to proton acceptors have been determined. From temperature measurements of the integrated intensities of the bands of monomers and of the complex (T ~ 120–160 K), the enthalpy of the complex formation has been estimated. The measurement data have been analyzed in comparison with the results of ab initio calculations in terms of the МР2/6-311++G(2df, 2pd) approximation. The analysis has been done taking into account peculiarities of the dipole moment function of chloroform and possible effects of the anharmonic interaction between the С–Н stretching vibration and the overtone of the Cl–C–H bending vibration.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Similar content being viewed by others

References

  1. P. Hobza and Z. Havlas, Chem. Rev. 100, 4253 2000.

    Article  Google Scholar 

  2. S. N. Delanoye, W. A. Herrebout, and B. J. van der Veken, J. Am. Chem. Soc. 124, 7490 2002.

    Article  Google Scholar 

  3. S. N. Delanoye, W. A. Herrebout, and B. J. van der Veken, J. Am. Chem. Soc. 124, 11854 2002.

    Article  Google Scholar 

  4. K. S. Rutkowski, W. Herrebout, S. M. Melikova, B. J. van der Veken, and A. Koll, Chem. Phys. 354, 71 2008.

    Article  ADS  Google Scholar 

  5. N. S. Golubev, T. D. Kolomiitsova, S. M. Melikova, and D. N. Shchepkin, in Proceedings of the 18th Conference on Spectrosopy (Gorky, 1977), p. 78.

    Google Scholar 

  6. S. M. Melikova, K. S. Rutkowski, P. Rodziewicz, and A. Koll, Chem. Phys. Lett. 352, 301 2002.

    Article  ADS  Google Scholar 

  7. B. J. van der Veken, W. A. Herrebout, R. Shostak, D. N. Shchepkin, Z. Havlas, and P. Hobza, J. Am. Chem. Soc. 123, 2290 2001.

    Article  Google Scholar 

  8. K. S. Rutkowski, S. M. Melikova, W. Herrebout, P. Rodziewicz, B. J. van der Veken, and A. Koll, Chem. Phys. 313, 225 2005.

    Article  ADS  Google Scholar 

  9. B. Vukhopadhyay, M. Mukherjee, P. Pandey, A. K. Samanta, B. Bandyopadhyay, and T. Chakrahorty, J. Phys. Chem. A 113, 3078 2009.

    Article  Google Scholar 

  10. K. S. Rutkowski, S. M. Melikova, M. Rospenk, and A. Koll, Phys. Chem. Chem. Phys. 13, 14223 2011.

    Article  Google Scholar 

  11. W. Herrebout, S. M. Melikova, S. Delanoye, K. S. Rutkowski, B. J. van der Veken, and D. N. Shchepkin, J. Phys. Chem. A 109, 3038 2005.

    Article  Google Scholar 

  12. K. S. Rutkowski, W. Herrebout, S. M. Melikova, P. Rodziewicz, B. J. van der Veken, and A. Koll, Spectrochim. Acta A 61, 1595 2005.

    Article  ADS  Google Scholar 

  13. V. V. Bertsev, N. S. Golubev, and D. N. Shchepkin, Opt. Spectrosc. 40, 543 1976.

    ADS  Google Scholar 

  14. M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, A. F. Izmaylov, et al., Gaussian 09, Rev. C.01 (Gaussian Inc., Wallingford CT, 2010).

    Google Scholar 

  15. S. F. Boys and F. Bernardy, Mol. Phys. 19, 553 1970.

    Article  ADS  Google Scholar 

  16. S. Simon, M. Duran, and J. J. Dannenberg, J. Chem. Phys. 105, 11024 1996.

  17. M. J. Hippler, Chem. Phys. 127, 084306 2007.

    ADS  Google Scholar 

  18. L. M. Sverdlov, M. A. Kovner, and E. P. Krainov, Vibrational Spectra of Polyatomic Molecules (Nauka, Moscow, 1970) [in Russian].

    Google Scholar 

  19. K. S. Rutkowski, S. M. Melikova, R. E. Asfin, B. Czarnik-Matusewicz, and M. Rospenk, J. Mol. Spectrosc. 1072, 32 2014.

    Google Scholar 

  20. A. Karpfen and E. S. Kryachko, Chem. Phys. Lett. 431, 428 2006.

    Article  ADS  Google Scholar 

  21. K. S. Rutkowski, A. Karpfen, S. M. Melikova, W. Herrebout, A. Koll, P. Wolschan, and B. J. van der Veken, Phys. Chem. Chem. Phys. 11, 1551 2009.

    Article  Google Scholar 

  22. B. Michielsen, J. J. J. Dom, B. J. van der Veken, S. Hesie, Z. Xue, M. A. Suhm, and W. A. Herrebout, Phys. Chem. Chem. Phys. 12, 14034 2010.

    Article  Google Scholar 

  23. B. T. Darling and D. M. Dennison, Phys. Rev. 57, 128 1940.

    Article  ADS  Google Scholar 

  24. K. S. Rutkowski, S. M. Melikova, O. V. Linok, B. Czarnik-Matusewicz, and M. Rospenk, Spectrochim. Acta 136, 95 2015.

    Article  Google Scholar 

  25. H. R. Dubal, T. K. Ha, M. Lewerenz, and M. Quack, J. Chem. Phys. 91, 6698 1989.

    Article  ADS  Google Scholar 

Download references

Author information

Authors and Affiliations

Authors

Corresponding author

Correspondence to K. S. Rutkowski.

Additional information

Original Russian Text © S.M. Melikova, K.S. Rutkowski, 2016, published in Optika i Spektroskopiya, 2016, Vol. 120, No. 2, pp. 253–260.

Rights and permissions

Reprints and permissions

About this article

Check for updates. Verify currency and authenticity via CrossMark

Cite this article

Melikova, S.M., Rutkowski, K.S. Investigation of the IR spectra of weakly hydrogen-bonded complex Cl3CH…O(CD3)2 in a cryosolution in liquid krypton. Opt. Spectrosc. 120, 242–249 (2016). https://doi.org/10.1134/S0030400X1602017X

Download citation

  • Received:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1134/S0030400X1602017X

Keywords

Navigation