Structural analysis of binuclear copper(II) complexes by DV-Xα calculations of Cu K-edge XANES spectra
✍ Scribed by Mitsutoshi Yokomizo; Tsutomu Kurisaki; Toshio Yamaguchi; Ichiro Murase; Hisanobu Wakita
- Publisher
- John Wiley and Sons
- Year
- 1999
- Tongue
- English
- Weight
- 158 KB
- Volume
- 28
- Category
- Article
- ISSN
- 0049-8246
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✦ Synopsis
The structures of two binuclear copper complexes of N,N 0 ,N 00 ,N 000 -tetrakis(2-aminoethyl)-1,4,8,11tetraazacyclotetradecane (TAEC) in crystal form and in aqueous solution were determined by DV-Xa analysis of XANES (x-ray absorption near-edge structure) spectra. The results revealed that a Br -is bridged to bind the two Cu 2+ ions within [Cu 2 (TAEC)Br](ClO 4 ) 3 aqueous solution and crystals, and that in [Cu 2 (TAEC)(ClO 4 ) 2 ](ClO 4 ) 2 , the two Cu 2+ ions are bridged via O, probably OH -, in aqueous solution, in contrast with a non-bridged structure found in crystals. These binuclear complexes tend to have anionbridged structures, but form an unbridged structure depending on the stability of the crystal field. Copyright