Two novel rhenium complexes derived from [ReO(OMe)Cl2(dpphen)]- synthesis, crystal structure, spectroscopic and magnetic properties.
The reaction of [ReO(OMe)Cl2(dpphen)] (dpphen = 4,7-diphenyl-1,10-phenanthroline) with triphenylphosphine has been examined and two novel rhenium complexes – [ReIIICl3(dpphen)(PPh3)]·Me2CO (1) and [ReIVCl4(dpphen)]·CHCl3 (2) – have been obtained. The compounds have been characterised by elemental analysis, IR, UV–Vis spectroscopy, magnetic measurements and X-ray crystallography. The electronic structures of [ReCl3(dpphen)(PPh3)] and [ReCl4(dpphen)] have been studied by DFT/B3LYP level calculations, and TD-DFT calculations have been employed for discussion of the electronic spectra in more detail. The magnetic behaviour of 1 is characteristic of mononuclear complexes with d4 low-spin octahedral Re(III) complexes (3T1g ground state) and arise because of the large spin–orbit coupling (ζ = 2500 cm−1), which gives diamagnetic ground state. For complex 2 the results of calculations revealed value of zero-field splitting parameter D = 10.8 cm−1, g|| = 2.49 and g⊥ = 1.51
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