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Radiochemistry

, Volume 51, Issue 3, pp 237–243 | Cite as

Crystal and molecular structure of [TcCl(CO)5] and [TcBr(CO)5]. Correlations with the reactivity and electronic structure

  • G. V. Sidorenko
  • V. V. Gurzhii
  • A. E. Miroslavov
  • O. V. Sizova
  • S. V. Krivovichev
  • A. A. Lumpov
  • D. N. Suglobov
Article

Abstract

The crystal and molecular structures of [TcCl(CO)5] and [TcBr(CO)5] were determined. The compounds crystallize in the rhombic system, space group Pnma; a = 11.6757(18) and 11.9564(18) Å, b = 11.7365(14) and 11.7250(18) Å, c = 6.0407(7) and 6.2020(15) Å, V = 827.77(19) and 869.5(3) Å3, respectively; Z = 4. The structural data for pentacarbonyl halides were compared in the series Mn-Tc-Re and Cl-Br-I. Quantum-chemical calculations of the compounds [TcX(CO)5] (X = F, Cl, Br, I) and of the anion [TcCl3(CO)3]2− were made. A correlation between the geometry, electronic structure, and reactivity of the complexes is considered.

PACS numbers

31.15.Ew 61.66.Fn 

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Copyright information

© Pleiades Publishing, Ltd. 2009

Authors and Affiliations

  • G. V. Sidorenko
    • 1
  • V. V. Gurzhii
    • 2
  • A. E. Miroslavov
    • 1
  • O. V. Sizova
    • 3
  • S. V. Krivovichev
    • 2
  • A. A. Lumpov
    • 1
  • D. N. Suglobov
    • 1
  1. 1.Khlopin Radium Institute, Research and Production AssociationFederal State Unitary EnterpriseSt. PetersburgRussia
  2. 2.Geological FacultySt. Petersburg State UniversitySt. PetersburgRussia
  3. 3.Chemical FacultySt. Petersburg State UniversitySt. PetersburgRussia

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