Skip to main content
SpringerLink
Log in

Molecular orbital calculation of Mössbauer parameters for tin compounds in low temperature matrices

  • Published:
Journal of Radioanalytical and Nuclear Chemistry Aims and scope Submit manuscript

Abstract

Mössbauer parameters of tin compounds, Sn(CH3)nCl4−n (n=0, 1, 2, 3, 4), isolated in low temperature matrices are correlated with electronic properties at the tin nuclei obtained by molecular orbital calculations. The Mössbauer isomer shift and quadrupole splitting show good correlation with electron density and electric field gradient estimated by molecular orbital calculations, respectively. Structures of novel species (Sn(CH3)2CH2 and [Sn(CH3)2CH2]2) produced via photodissociation of Sn(CH3)4 in low temperature matrices were estimated by means of molecular orbital calculations as compared with Mössbauer parameters.

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

Access this article

Log in via an institution

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. Y. Yamada, Y. Minai, H. Sato, T. Tominaga,J. Radioanal. Nucl. Chem., Lett. 87 (1984) 359.

    Google Scholar 

  2. Y. Yamada, Y. Minai, H. Sato, T. Tominaga,J. Radioanal. Nucl. Chem., Lett., 96 (1985) 503.

    Google Scholar 

  3. Y. Yamada, T. Tominaga,J. Radioanal. Nucl. Chem., Lett., 118 (1987) 119.

    Google Scholar 

  4. Y. Yamada, T. Tominaga,J. Radioanal. Nucl. Chem., Lett., 126 (1988) 455.

    Google Scholar 

  5. Y. Yamada, T. Tominaga,J. Radioanal Nucl. Chem., Lett. 188 (1994) 83.

    Google Scholar 

  6. Y. Yamada, T. Tominaga,J. Radioanal. Nucl. Chem., Lett., 199 (1995) 95.

    Google Scholar 

  7. C. Obayashi, H. Sato, T. Tominaga,J. Radioanal. Nucl. Chem., Lett., 127 (1988) 75.

    Google Scholar 

  8. C. Obayashi, H. Sato, T. Tominaga,J. Radioanal. Nucl. Chem., Lett., 137 (1989) 87.

    Google Scholar 

  9. C. Obayashi, H. Sato, T. Tominaga,J. Radioanal. Nucl. Chem., Lett., 164 (1992) 365.

    Google Scholar 

  10. H. Micklitz, P. H. Barrett,Phys. Rev., B5 (1972) 1704.

    Google Scholar 

  11. A. Schichl, F. J. Litterst, H. Micklitz, J. P. Devort, J. M. Friedt,Chem. Phys., 20 (1977) 371.

    Google Scholar 

  12. M. Yanaga, K. Endo, H. Nakahara, S. Ikuta, T. Miura, M. Takhashi, M. Takeda,Hyp. Int., 62 (1990) 372.

    Google Scholar 

  13. Gaussian 86, M. J. Frisch, J. B. Binkley, H. B. Schlegel, K. Raghavachari, C. F. Melius, R. L. Martin, J. J. Stewart, F. W. Bobrowicz, C. M. Rohlfing, L. R. Kahn, D. J. Defrees, R. Seeger, R. A. Whitesde, D. J. Fox, E. M. Fleuder, J. A. Pople, Gaussian Inc., Pittsburg PA., USA, 1987; Revised for HITAC M-880 by T. Hirano, O. Nomura, H. Murao.

    Google Scholar 

  14. Gaussian 92, Revision E. 1 M. J. Frisch, G. W. Trucks, M. Head-Gordon, P. M. W. Gill, M. W. Wong, J. B. Foresman, B. G. Johnson, H. B. Schlegel, M. A. Robb, E. S. Replogle, R. Gomperts, J. L. Andres, K. Raghavachari, J. S. Binkley, C. Gonzalez, R. L. Martin, D. J. Fox, D. J. Defrees, J. Baker, J. J. P. Stewart, J. A. Pople, Gaussian, Inc., Pittsburgh PA, USA, 1992.

    Google Scholar 

  15. Gaussian Basis Sets for Molecular Orbital Calculations (by S. Huzinaga, J. Andzelm, M. Ktobukowski, E. Radzio-Andzelm, Y. Sakai, H. Tatewaki) Elsevier, 1984.

  16. A. Stromberg, O. Gropen, U. Wahlgren,J. Compt. Chem., 4 (1983) 181.

    Google Scholar 

  17. H. Fujii, M. Kimura,Bull. Chem. Soc. Jpn., 44 (1971) 44.

    Google Scholar 

  18. M. Nagashima, H. Fujii, M. Kimura,Bull. Chem. Soc. Jpn., 46 (1973) 3708.

    Google Scholar 

  19. B. Beagley, K. McAloon, J. M. Freeman,Acta Cryst., B30 (1974) 444.

    Google Scholar 

  20. I. M. Band, V. I. Fomichev,Atom. Data and Nucl. Data Tables, 23 (1979) 295.

    Google Scholar 

  21. H. Muramatsu, T. Miura, H. Nakahara, M. Fujioka, E. Tanaka, A. Hashizume,Hyp. Int., 20 (1984) 305.

    Google Scholar 

  22. A. Svane, E. Antoncik,Phys. Rev. B35, (1987) 4611.

    Google Scholar 

  23. J. Terra, D. Guenzburger,Hyp. Int., 60 (1990) 627.

    Google Scholar 

  24. H. Hass, M. Menningen, H. Andreasen, S. Damgaard, H. Grann, F. T. Pedersen, J. W. Petersen, G. Weyer,Hyp. Int., 15/16 (1983) 215.

    Google Scholar 

  25. W. J. Pietro, W. J. Hehre,J. Am. Chem. Soc., 104 (1982) 4329.

    Google Scholar 

  26. M. J. S. Dewar, G. L. Grady, D. R. Kuhn, K. M. Merz, Jr.,J. Am. Chem. Soc., 106 (1984) 6773.

    Google Scholar 

  27. K. D. Dobbs, W. J. Hehre,Organometallics, 5 (1986) 2057.

    Google Scholar 

  28. L. Pauling,Proc. Natl. Acad. Sci. USA, 80 (1983) 3871.

    Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Department of Chemistry, School of Science, The University of Tokyo, 7-3-1 Hongo, 113, Bunkyo-ku, Tokyo, Japan

    Y. Yamada, K. Onaka, C. Obayashi & T. Tominaga

  2. Department of Chemistry, Faculty of Science, Science University of Tokyo, 1-3 Kagurazaka, Shinjyuku-ku, 162, Tokyo, Japan

    H. Sato

Authors
  1. Y. Yamada
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. K. Onaka
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. C. Obayashi
    View author publications

    You can also search for this author in PubMed Google Scholar

  4. H. Sato
    View author publications

    You can also search for this author in PubMed Google Scholar

  5. T. Tominaga
    View author publications

    You can also search for this author in PubMed Google Scholar

Rights and permissions

Reprints and permissions

About this article

Cite this article

Yamada, Y., Onaka, K., Obayashi, C. et al. Molecular orbital calculation of Mössbauer parameters for tin compounds in low temperature matrices. Journal of Radioanalytical and Nuclear Chemistry Letters 199, 477–492 (1995). https://doi.org/10.1007/BF02164635

Download citation

  • Received:

  • Accepted:

  • Issue Date:

  • DOI: https://doi.org/10.1007/BF02164635

Keywords

Search

Navigation