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Quantum mechanical interpretation of the IR Spectrum of 2-deoxy-D-ribose in the oh group stretching vibration region

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Journal of Applied Spectroscopy Aims and scope

An Erratum to this article was published on 17 January 2012

Within MP2/6-311++G(d,p)//DFT B3LYP/6-31 G(d,p) theory, taking into account the anharmonicity of the vibrations, we have calculated the vibrational spectra of all the conformers of the furanose, pyranose, and linear forms of the 2-deoxy-D-ribose molecule. Based on the calculation, we have interpreted the experimental IR spectrum of this molecule in the region of stretching vibrations of the OH groups. For the α and β anomers of the pyranose form of the molecule, we observe and explain the difference between the populations realized in the experiment and the calculated thermodynamic equilibrium values. We present the structures of the eight isomers of 2-deoxy-D-ribose determining its IR spectrum in a low-temperature inert matrix.

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References

  1. S. J. Cortes, T. L. Mega, and R. L. Van Etten, J. Org. Chem., 56, 943–947 (1991).

    Article  Google Scholar 

  2. S. Furberg, Acta Chem. Scandinav., 14, 1357–1363 (1960).

    Article  Google Scholar 

  3. M. N. Schuchmann and C. von Sonntag, Z. Naturforsch., 36b, 726–731 (1981).

    Google Scholar 

  4. L. A. Loeb and B. D. Preston, Ann. Rev. Genet., 20, 201–230 (1986).

    Article  Google Scholar 

  5. M. Lukin and C. de Los Santos, Chem. Rev., 106, 607–686 (2006).

    Article  Google Scholar 

  6. R. G. Zhbankov, L. K. Prihodchenko, T. E. Kolosova, V. M. Andrianov, M. V. Korolevich, H. Ratajczak, and M. Marchevka, J. Mol. Struct., 450, 29–40 (1998).

    Article  ADS  Google Scholar 

  7. R. G. Zhbankov, S. P. Firsov, E. V. Korolik, P. T. Petrov, M. P. Lapkovskii, V. M. Tsarenkov, M. K. Marchewka, and H. Ratajczak, J. Mol. Struct., 555, 85–96 (2000).

    Article  ADS  Google Scholar 

  8. R. G. Zhbankov, S. P. Firsov, T. E. Kolosova, L. K. Prihodchenko, D. D. Grinshpan, J. Baran, M. K. Marchewka, and H. Ratajczak, J. Mol. Struct., 656, 275–286 (2003).

    Article  ADS  Google Scholar 

  9. R. G. Zhbankov, M. V. Korolevich, B. G. Derendyaev, and V. N. Piottukh-Peletsky, J. Mol. Struct., 744–747, 937–945 (2005).

    Article  Google Scholar 

  10. A. Kovacs and A. Yu. Ivanov, J. Phys. Chem. B, 113, 2151–2159 (2009).

    Article  Google Scholar 

  11. Z. Su, E. J. Cocinero, E. C. Stanca-Kaposta, B. G. Davis, and J. P. Simons, Chem. Phys. Lett., 471, 17–21 (2009).

    Article  ADS  Google Scholar 

  12. S. A. Krasnokutski, A. Yu. Ivanov, V. Izvekov, G. G. Sheina, and Yu. P. Blagoi, J. Mol. Struct., 482–483, 249– 252 (1998).

    Google Scholar 

  13. C. A. Krasnokutskii, A. Yu. Ivanov, G. G. Sheina, and Yu. P. Blagoi, Vestn. Khar’k. Univ., No. 488: Biofiz. Vestn. (Ukraina), 6, No. 1, 49–55 (2000).

  14. T. Yu. Nikolaenko, L. A. Bulavin, and D. M. Govorun, Biopolymers and Cell, 27, No. 1, 74–81 (2011).

    Google Scholar 

  15. T. Yu. Nikolaenko, L. A. Bulavin, and D. M. Govorun, Ukrain. Bioorg. Acta, 8, No. 2, 8–16 (2010).

    Google Scholar 

  16. T. Yu. Nikolaenko, L. A. Bulavin, and D. M. Govorun, Ukrain. Bioorg. Acta, 9, No. 1, 3–11 (2011).

    Google Scholar 

  17. M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. A. Montgomery, Jr., T. Vreven, K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J. E. Knox, H. P. Hratchian, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, P. Y. Ayala, K. Morokuma, G. A. Voth, P. Salvador, J. J. Dannenberg, V. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain, O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. V. Ortiz, Q. Cui, A. G. Baboul, S. Clifford, J. Cioslowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, C. Gonzalez, and J. A. Pople, Gaussian 03, Revision E.01, Gaussian, Inc., Wallingford, Connecticut USA (2004).

  18. V. Barone, J. Chem. Phys., 122, 014108-1–014108-10 (2005).

    ADS  Google Scholar 

  19. V. Barone, J. Chem. Phys., 120, 3059–3065 (2004).

    Article  ADS  Google Scholar 

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Authors and Affiliations

  1. Institute of Molecular Biology and Genetics, National Academy of Sciences of Ukraine, Kiev, Ukraine

    T. Yu. Nikolaenko, L. A. Bulavin & D. N. Govoruna

  2. Taras Shevchenko Kiev National University, 4 prop. Glushkova, Kiev, 03022, Ukraine

    D. N. Govoruna

Authors
  1. T. Yu. Nikolaenko
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  2. L. A. Bulavin
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  3. D. N. Govoruna
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Correspondence to T. Yu. Nikolaenko.

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Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 78, No. 5, pp. 805–808, September–October, 2011.

An erratum to this article can be found at http://dx.doi.org/10.1007/s10812-012-9556-8

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Nikolaenko, T.Y., Bulavin, L.A. & Govoruna, D.N. Quantum mechanical interpretation of the IR Spectrum of 2-deoxy-D-ribose in the oh group stretching vibration region. J Appl Spectrosc 78, 751–754 (2011). https://doi.org/10.1007/s10812-011-9528-4

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  • DOI: https://doi.org/10.1007/s10812-011-9528-4

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