Structural Analysis and Single-Crystal EPR Study of Dimeric Cu(I) Complex with TTF Derivative

  • Kwon, Sun-Young (Department of Chemistry, Seoul Women’s University) ;
  • Seo, Young-Joo (Department of Chemistry Education, Kyungpook National University) ;
  • Lee, Yang-Joo (Department of Chemistry Education, Kyungpook National University) ;
  • Noh, Dong-Youn (Department of Chemistry, Seoul Women’s University) ;
  • Lee, Hong-In (Department of Chemistry Education, Kyungpook National University)
  • Published : 2004.12.20

Abstract

A Cu(I) complex with an asymmetric TTF derivative (CET-EDTTTF) is prepared from the slow-diffusion method using CET-EDTTTF and Cu(I)Br solutions and characterized by X-ray crystallography and EPR spectroscopy. Structural analysis shows Cu(I) ions are tetrahedrally coordinated to two bridging bromides, one terminal bromide, and one S atom from CET-EDTTTF. Detailed geometrical and EPR analysis identified that the dimmer molecule contains [Cu$_2Br_4]^{2-}$ anion between two [CET-EDTTTF]$^+$ radical cations. Single-crystal EPR investigation of the complex reveals that the ganisotropy is unusually big, compared to those of the previously reported TTF+ cation radicals, implying that there is significant contribution of the Cu d-orbital to the HOMO of the complex.

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