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Experimental and theoretical investigation of topological and energy characteristics of electron density in crystals of SbV o-amidophenolate complexes

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Abstract

Experimental and theoretical investigations of electron density in the complexes [4,6-ditert-butyl-N-(2,6-diisopropylphenyl)-1,2-amidophenolato]tricyclohexylantimony(V) (1) and [4,6-di-tert-butyl-N-(2,6-dimethylphenyl)-1,2-amidophenolato]tri-4-fluorophenylantimony(V) (2) were performed based on high-resolution X-ray diffraction data and density functional theory calculations (B3LYP/DGDZVP). The nature of chemical bonding, the energy of intraand intermolecular interactions in the crystals, and the atomic charge distribution were studied.

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References

  1. C. G. Pierpont, R. M. Buchanan, Coord. Chem. Rev., 1981, 38, 45.

    Article  CAS  Google Scholar 

  2. C. G. Pierpont, Coord. Chem. Rev., 2001, 216—217, 216.

    Google Scholar 

  3. C. G. Pierpont, Coord. Chem. Rev., 2001, 219—221, 219.

    Google Scholar 

  4. A. I. Poddel’sky, V. K. Cherkasov, G. A. Abakumov, Coord. Chem. Rev., 2009, 253, 291.

    Article  Google Scholar 

  5. G. A. Abakumov, A. I. Poddel’sky, E. V. Grunova, V. K. Cherkasov, G. K. Fukin, Yu. A. Kurskii, L. G. Abakumova, Angew. Chem., Int. Ed., 2005, 44, 2767.

    Article  CAS  Google Scholar 

  6. V. K. Cherkasov, G. A. Abakumov, E. V. Grunova, A. I. Poddel’sky, G. K. Fukin, E. V. Baranov, Yu. A. Kurskii, L. G. Abakumova, Chem. Eur. J., 2006, 12, 3916.

    Article  CAS  Google Scholar 

  7. A. I. Poddel’sky, I. V. Smolyaninov, N. V. Somov, N. T. Berberova, V. K. Cherkasov, G. A. Abakumov, J. Organomet. Chem., 2010, 695, 530.

    Article  Google Scholar 

  8. A. I. Poddel’sky, I. V. Smolyaninov, Yu. A. Kurskii, G. K. Fukin, N. T. Berberova, V. K. Cherkasov, G. A. Abakumov, J. Organomet. Chem., 2010, 695, 1215.

    Article  Google Scholar 

  9. A. I. Poddel’sky, Y. A. Kurskii, A. V. Piskunov, N. N. Somov, V. K. Cherkasov, G. A. Abakumov, Appl. Organomet. Chem., 2011, 25, 180.

    Article  Google Scholar 

  10. I. A. Guzei, M. Wendt, Dalton Trans., 2006, 3991.

    Google Scholar 

  11. G. K. Fukin, E. V. Baranov, C. Jelsch, B. Guillot, A. I. Poddel’sky, V. K. Cherkasov, G. A. Abakumov, J. Phys. Chem., A, 2011, 115, 8271.

  12. G. K. Fukin, E. V. Baranov, A. I. Poddel’sky, V. K. Cherkasov, G. A. Abakumov, ChemPhysChem., 2012, 13, 3773.

    Article  CAS  Google Scholar 

  13. A. W. Addison, T. N. Rao, J. van Rijn, J. Reedijk, G. C. Verschoor, J. Chem. Soc., Dalton Trans., 1984, 1349.

    Google Scholar 

  14. R. F. W. Bader, Atoms in Molecules —A Quantum Theory, Oxford University Press, Oxford, 1990.

  15. G. K. Fukin, M. A. Samsonov, E. V. Baranov, A. V. Maleeva, A. V. Piskunov, V. K. Cherkasov, Russ. Chem. Bull. (Int. Ed.), 2013, 62, 1907 [Izv. Akad. Nauk, Ser. Khim., 2013, 1907].

    Article  CAS  Google Scholar 

  16. S. S. Batsanov, Russ. J. Inorg. Chem., 1991, 36, 1694.

    Google Scholar 

  17. E. Espinosa, E. Molins, C. Lecomte, Chem. Phys. Lett., 1998, 285, 170.

    Article  CAS  Google Scholar 

  18. E. A. Pidko, R. A. van Santen, Chem PhysChem., 2006, 1657.

    Google Scholar 

  19. E. A. Pidko, J. Xu, B. L. Mojet, L. Lefferts, I. R. Subbotina, V. B. Kazansky, R. A. van Santen, J. Phys. Chem. B, 2006, 110, 22618.

    Article  CAS  Google Scholar 

  20. A. O. Borissova, A. A. Korlyukov, M. Yu. Antipin, K. A. Lyssenko, J. Phys. Chem. A, 2008, 112, 11519.

    Article  CAS  Google Scholar 

  21. G. M. Sheldrick, SHELXTL v. 6.12, Structure Determination Software Suite, Bruker AXS, Madison, WI, 2000.

    Google Scholar 

  22. G. M. Sheldrick, SADABS v. 2.01, Bruker/Siemens Area Detector Absorption Correction Program, Bruker AXS, Madison, WI, 1998.

    Google Scholar 

  23. Agilent Technologies. CrysAlis Pro, Agilent Technologies Ltd, Yarnton, England, 2011.

  24. N. K. Hansen, P. Coppens, Acta Crystallogr. A, 1978, 34, 909.

    Article  Google Scholar 

  25. C. Jelsch, B. Guillot, A. Lagoutte, C. Lecomte, J. Appl. Crystallogr., 2005, 38, 38.

    Article  Google Scholar 

  26. F. H. Allen, O. Kennard, D. G. Watson, L. Brammer, A. G. Orpen, R. Taylor, J. Chem. Soc., Perkin Trans., 1987, Suppl. 2, 1.

    Google Scholar 

  27. F. L. Hirshfeld, Acta Crystallogr., Sect. A, 1976, 32, 239.

    Article  Google Scholar 

  28. A. Stash, V. Tsirelson, J. Appl. Crystallogr., 2002, 35, 371.

    Article  CAS  Google Scholar 

  29. M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. A. Montgomery, T. Vreven, K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, Gaussian 03, Revision C.02; Gaussian, Inc., Wallingford, CT, 2004.

  30. T. A. Keith, AIMAll (Version 14.06.21), TK Gristmill Software, Overland Park KS, USA, 2014 (aim.tkgristmill.com).

    Google Scholar 

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Authors and Affiliations

  1. G. A. Razuvaev Institute of Organometallic Chemistry, Russian Academy of Sciences, 49 ul. Tropinina, 603950, Nizhny Novgorod, Russian Federation

    G. K. Fukin, M. A. Samsonov, E. V. Baranov, A. I. Poddel’sky & V. K. Cherkasov

  2. N. I. Lobachevsky Nizhny Novgorod State University, 23 prosp. Gagarina, 603950, Nizhny Novgorod, Russian Federation

    G. K. Fukin, E. V. Baranov, A. I. Poddel’sky & V. K. Cherkasov

Authors
  1. G. K. Fukin
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  2. M. A. Samsonov
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  3. E. V. Baranov
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  4. A. I. Poddel’sky
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  5. V. K. Cherkasov
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Correspondence to G. K. Fukin.

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Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 1, pp. 0054—0060, January, 2016.

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Fukin, G.K., Samsonov, M.A., Baranov, E.V. et al. Experimental and theoretical investigation of topological and energy characteristics of electron density in crystals of SbV o-amidophenolate complexes. Russ Chem Bull 65, 54–60 (2016). https://doi.org/10.1007/s11172-016-1264-8

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  • DOI: https://doi.org/10.1007/s11172-016-1264-8

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