S-, X-, Q- undW-Band-Pulver-EPR-Untersuchungen am mononuklearen AuII-Komplex [AuII([9]anS3)2](BF4)2 / S-, X-, Q- und W-Band Powder-EPR Investigations on the Mononuclear AuII-Complex [AuII([9]aneS3 )2](BF4)2

Abstract

Powder-EPR-studies at T = 295, 130 and 13 K of the thiacrown ether AuII complex [AuII([9]aneS3)2](BF4)2 diamagnetically diluted by the corresponding ZnII complex are reported. Due to the small anisotropy of the g and the 197Au hyperfine tensor AAu, a large 197Au quadrupole interaction and the noticeable linewidts, the powder spectra show a very complex pattern. Using S-band (2.4 GHz), X-band (9.5 GHz), Q-band (35 GHz) and W-band (94 GHz) frequencies the spectra could be analysed successfully. The spectra were simulated with a computer program which diagonalizes the spin-Hamiltonian matrix exactly. According to EHT-MO calculations most of the spin-density is located in an AuS4 unit of the distorted AuS6 unit.