摘要
The reaction of Re(CO)(5)Cl with 2-thienyl-N,N-bis(2-thienylmethylene)methanediamine (tbtmma) has been examined and a novel Re(CO)(3)(+) tricarbonyl -fac-[Re(CO)(3)(tbtmma)Cl] - has been obtained. The compound has been studied by IR, U-V-Vis spectroscopy and X-ray crystallography. The molecular orbital diagram of the tricarbonyl has been calculated with the density functional theory (DFT) method. The spin-allowed singlet-singlet electronic transitions of [Re(CO)(3)(tbtmma)Cl] have been calculated with the time-dependent DFT method, and the UV-Vis spectrum of the title compound has been discussed on this basis.
- 出版日期2007-7-23