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Journal of Radioanalytical and Nuclear Chemistry

, Volume 201, Issue 5, pp 417–429 | Cite as

Molecular orbital calculation of Mössbauer parameters for Sn(CH3)nH4−n (n=0, 1, 2, 3) and their photoproducts in low temperature matrices

  • Y. Yamada
  • T. Kumagawa
  • Y. T. Yamada
  • T. Tominaga
Article

Abstract

Mössbauer parameters of tin compounds, Sn(CH3)2H4−n (n=0, 1, 2, 3, 4), isolated in low temperature matrices were related to electronic properties at the tin nuclei obtained by molecular orbital calculations. Structures of novel species, Sn(CH3)2 and Sn(CH3)H, produced via photodissociation of matrix-isolated Sn(CH3)3H and Sn(CH3)2H2, respectively, were determined on the basis of molecular orbital calculations as compared with Mössbauer parameters. The correlations between Mössbauer quadrupole splitting and calculated electric field gradient using STO-3G or MINI-4 were found to depend on the valence of tin atoms because of poor allowance for basis sets in describing highly polar molecules.

Keywords

Physical Chemistry Inorganic Chemistry Photodissociation Electronic Property Field Gradient 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© Akadémiai Kiadó 1995

Authors and Affiliations

  • Y. Yamada
    • 1
  • T. Kumagawa
    • 1
  • Y. T. Yamada
    • 1
  • T. Tominaga
    • 1
  1. 1.Department of Chemistry, School of ScienceUniversity of TokyoTokyoJapan

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