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Influence of Nanotubes on the Relative Stability of Orthogonal Form of Dialane

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Abstract

Conformational transformations of the orthogonal and planar forms of dialane Al2H4 molecule in model single-walled carbon nanotubes have been studied by the PBE/3ζ DFT method. In most cases, the effect of the nanosystem force field on the encapsulated molecule has been reflected in shortening of the Al–Al and Al–H bonds, decrease in the bond angles, and change in partial charges and bond orders which have resulted in the inversion of the relative stability of the orthogonal and planar forms as well as generation of high negative charge on the molecule of Al2H4 in the nanotube cavity. The decisive effect of the molecular orbital energy of the dialane@nanotube cluster on the stabilization of the planar conformation has been concluded.

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References

  1. Modern Organoaluminium Reagents. Preparation, Structure, Reactivity, and Use, Woodward, S. and Dagorne, S., Eds., Berlin: Springer-Verlag, 2013, p. 112. https://doi.org/10.1007/978-3-642-33672-0

    Google Scholar 

  2. Witt, M. and Roesky, H.W., Curr. Sci., 2000, vol. 78, no. 4, p. 410.

    CAS  Google Scholar 

  3. Wang, X., Andrews, L., Tam, S., DeRose, M.E., and Fajardo, M.E., J. Am. Chem. Soc., 2003, vol. 125, no. 30, p. 9218. https://doi.org/10.1021/ja0353560

    Article  CAS  Google Scholar 

  4. Kuznetsov, V.V., Russ. J. Org. Chem., 2013, vol. 49, no. 2, p. 313. https://doi.org/10.1134/S1070428013020231

    Article  CAS  Google Scholar 

  5. Kuznetsov, V.V., Russ. J. Org. Chem., 2013, vol. 49, no. 8, p. 1231. https://doi.org/10.1134/S107042801308023X

    Article  CAS  Google Scholar 

  6. Kuznetsov, V.V., Russ. J. Gen. Chem., 2013, vol. 83, no. 12, p. 2334. https://doi.org/10.1134/S1070363213100190

    Article  CAS  Google Scholar 

  7. Kuznetsov, V.V., Russ. J. Gen. Chem., 2016, vol. 86, no. 9, p. 2000. https://doi.org/10.1134/S1070363216090048

    Article  CAS  Google Scholar 

  8. Kuznetsov, V.V., Russ. J. Gen. Chem., 2014, vol. 84, no. 1, p. 157. https://doi.org/10.1134/S107036321401023X

    Article  CAS  Google Scholar 

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

    Article  CAS  Google Scholar 

  10. Laikov, D.N., Cand. Sci. (Chem.) Dissertation, Moscow, 2000.

  11. Laikov, D.N., Chem. Phys. Lett., 1997, vol. 281, no. 1, p. 151. https://doi.org/10.1016/S0009-2614(97)01206-2

    Article  CAS  Google Scholar 

  12. Sabirov, D.Sh., J. Phys. Chem. (C), 2013, vol. 117, no. 18, p. 9148. https://doi.org/10.1021/jp401944x

    Article  CAS  Google Scholar 

  13. Sabirov, D.Sh., RSC Adv., 2013, vol. 3, p. 19430. https://doi.org/10.1039/C3RA42498G

    Article  CAS  Google Scholar 

  14. Avramov, P.V., Kudin, K.N., and Scuseria, G.E., Chem. Phys. Lett, 2003, vol. 370, nos. 5–6, p. 597. https://doi.org/10.1016/S0009-2614(03)00113-1

    Article  CAS  Google Scholar 

  15. Pankratyev, E.Yu., Khatymov, R.V., Sabirov, D.Sh., and Yuldashev, A.V., Physica (E), 2018, vol. 101, p. 265. https://doi.org/10.1016/j.physe.2018.04.004

    Article  CAS  Google Scholar 

  16. TeraChem ver.1.93p. http://www.petachem.com.

  17. Lammertsma, K., Güner, O.F., Drewes, R.M., Reed, A.E., and Schleyer, P.R., Inorg. Chem., 1989, vol. 28, no. 2, p. 313. https://doi.org/10.1021/ic00301a032

    Article  CAS  Google Scholar 

  18. Quijano-Quiñones, R.F., Quesadas-Rojas, M., Cuevas, G., and Mena-Rejón, G.J., Molecules, 2012, vol. 17, no. 4, p. 4661. https://doi.org/10.3390/molecules17044661

    Article  Google Scholar 

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

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Funding

This study was financially supported by the Ministry of Education and Science of Russian Federation, project no. 16.1969.2017/6.4.

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Authors and Affiliations

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

    V. V. Lazarev & V. V. Kuznetsov

  2. Ufa State Petroleum Technological University, Ufa, Russia

    V. V. Kuznetsov

Authors
  1. V. V. Lazarev
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  2. V. V. Kuznetsov
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Correspondence to V. V. Kuznetsov.

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No conflict of interest was declared by the authors.

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Russian Text © The Author(s), 2019, published in Zhurnal Obshchei Khimii, 2019, Vol. 89, No. 9, pp. 1385–1393.

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Lazarev, V.V., Kuznetsov, V.V. Influence of Nanotubes on the Relative Stability of Orthogonal Form of Dialane. Russ J Gen Chem 89, 1792–1799 (2019). https://doi.org/10.1134/S1070363219090111

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  • DOI: https://doi.org/10.1134/S1070363219090111

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