Structure and bonding in cyclic thiolate complexes of copper, silver and gold

  • Howell J
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Abstract

The structures of Mn(SMe)nrings (M = Cu, Ag, Au; n = 2-6) and some of their PH3and 1,4-diaza-1,3-butadiene complexes have been calculated using DFT methods. The geometries of the calculated structures are in good agreement with representative complexes retrieved from the Cambridge Crystallographic Data Base. Though π Cu-S and M-M orbital interactions can be identified, the net bonding interaction within the ring involves σ Cu-S orbital overlap. In many cases, the observed and calculated structures bear a similarity to those of appropriate members of the CnH2nseries (n = 2-8). © 2006 Elsevier Ltd. All rights reserved.

Author-supplied keywords

  • Copper
  • Cyclic
  • DFT
  • Gold
  • Silver
  • Thiolate

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Authors

  • James A.S. Howell

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