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Hexahydropyrimidin-2-one in nanotubes: Structural changes and conformational preferences

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Abstract

Investigation of conformational transformations of hexahydropyrimidin-2-one in the cavity of nanotubes with chirality indices (5,5) and (8,0) using DFT-method PBE/3ζ has shown that the encapsulated heterocyclic system has shortened С–N bonds, elongated С=О bond, bears an electric charge and is characterized by an increased potential barrier of interconversion as compared to the free molecule. In the case of (4,4) nanotube, a virtual reaction of the molecule in the cavity with the carbon atoms of the nanotube occurs.

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References

  1. Shutalev, A.D. and Ignatova, L.A., Chem. Heterocycl. Compd., 1991, vol. 27, no. 2, p. 187. doi 10.1007/BF00476755

    Article  Google Scholar 

  2. Fesenko, A.A., Solovyov, P.A., and Shutalev, A.D., Tetrahedron, 2010, vol. 66, p. 8420. doi 10.1016/j.tet.2009.11.099

    Article  Google Scholar 

  3. Knabe, J., Büch, H.P., and Biwersi, J., Arch. Pharm., 1993, vol. 326, no. 2, p. 79. doi 10.1002/ardp.19933260205

    Article  CAS  Google Scholar 

  4. Tamazyan, R., Ayvazyan, A., Martirosyan, V., Avagyan, K., and Martirosyan, A., Acta Crystallogr. (E), 2008, vol. 64, no. 2, p. o483. doi 10.1107/S1600536808001384

    Google Scholar 

  5. Kuznetsov, V.V., Chem. Heterocycl. Compd., 2011, vol. 47, no. 5, p. 651. doi 10.1007/s10593-011-0814-0

    Article  CAS  Google Scholar 

  6. Adisa, O.O., Cox, B.J., and Hill, J.M., Micro&Nano Lett., 2010, vol. 5, no. 5, p. 291. doi 10.1049/mnl.2010.0075

    CAS  Google Scholar 

  7. Liang, W.Z., Yang, J., and Sun, J., Appl. Phys. Lett., 2005, vol. 86, no. 22, p. 223113. doi 10.1063/1.1941476

    Article  Google Scholar 

  8. Jiang, H., Nieminen, R.M., and Kauppinen, E.I., Chem. Phys. Chem., 2014, vol. 15, no. 8, p. 1660. doi 10.1002/cphc.201301200

    Article  Google Scholar 

  9. Kamiya, K. and Okada, S., Phys. Rev. (B), 2011, vol. 83, no. 15, p. 155444. doi 10.1103/PhysRevB.83.155444

    Article  Google Scholar 

  10. Zhang, Z.S., Kang, Y., Liang, L.J., Liu, Y.C., Wu, T., and Wang, O., Biomaterials, 2014, vol. 35, no. 5, p. 1771. doi 10.1016/j. biomaterials.2013.11.041

    Article  CAS  Google Scholar 

  11. Manzetti, S., Adv. Manuf., 2013, vol. 1, p. 198. doi 10.1007/s40436-013-0030-5

    Article  Google Scholar 

  12. Zhang, F., Pan, X., Hu, Y., Yu, L., Chen, X., Jiang, P., Zhang, H., Deng, S., Zhang, J., Bolin, T.B., Zhang, S., Huang, Y., and Bao, X., Proc. Nat. Acad. Sci., 2013, vol. 110, no. 37, p. 14861. doi 10.1073/pnas.1306784110

    Article  CAS  Google Scholar 

  13. Kuznetsov, V.V., Russ. J. Org. Chem., 2013, vol. 49, no. 2, p. 313. doi 10.1134/S1070428013020231

    Article  CAS  Google Scholar 

  14. Kuznetsov, V.V., Russ. J. Org. Chem., 2013, vol. 49, no. 8, p. 1231. doi 10.1134/S107042801308023X

    Article  CAS  Google Scholar 

  15. Kuznetsov, V.V., Russ. J. Gen. Chem., 2013, vol. 83, no. 12, p. 2334. doi 10.1134/S1070363213100190

    Article  CAS  Google Scholar 

  16. Kuznetsov, V.V., Russ. J. Gen. Chem., 2013, vol. 83, no. 6, p. 1165. doi 10.1134/S1070363213060285

    Article  CAS  Google Scholar 

  17. Kuznetsov, V.V., Russ. J. Org. Chem., 2016, vol. 52, no. 11, p. 1688. doi 10.1134/S1070428016110233.

    Article  Google Scholar 

  18. Bochkor, S.A. and Kuznetsov, V.V., Russ. J. Gen. Chem., 2016, vol. 86, no. 6, p. 1300. doi 10.1134/S107036321606013X

    Article  CAS  Google Scholar 

  19. Laikov, D.N. and Ustynyuk, Yu.A., Russ. Chem. Bull., 2005, vol. 54, no. 3, p. 820. doi 10.1007/s11172-005-0329-x

    Article  CAS  Google Scholar 

  20. HyperChem 8.0. http://www.hyper.com.

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Authors and Affiliations

  1. Ufa State Aviation Technical University, ul. K. Marksa 12, Ufa, 450000, Russia

    V. V. Kuznetsov

  2. Ufa State Petroleum Technological University, Ufa, Russia

    V. V. Kuznetsov

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  1. V. V. Kuznetsov
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Correspondence to V. V. Kuznetsov.

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Original Russian Text © V.V. Kuznetsov, 2017, published in Zhurnal Obshchei Khimii, 2017, Vol. 87, No. 7, pp. 1067–1071.

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Kuznetsov, V.V. Hexahydropyrimidin-2-one in nanotubes: Structural changes and conformational preferences. Russ J Gen Chem 87, 1461–1465 (2017). https://doi.org/10.1134/S1070363217070039

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  • DOI: https://doi.org/10.1134/S1070363217070039

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