Coordination behavior of chromone Schiff bases towards the [ReVO]3+ and [ReI(CO)3]+ cores

Herein, we describe the coordination behavior of chromone Schiff bases towards [(ReO)-O-V](3+) and [Re-I(CO)(3)](+). The reaction between 2-(2-thiolphenyliminomethyl)-4H-chromen-4-one (Htch) and [Re(CO)(5)Cl] led to fac-[Re(CO)(3)(bsch)Cl] (1) (bsch = 2-benzothiazole-4H-chromen-4-one). The square pyramidal [ReO(Hns)] (2) {H(2)ns=bis-[(2-phenylthiolate)iminomethyl]-methyl-1-(2-hydroxyphenyl)prop-2-en-1-one} and octahedral [ReO(OCH3)(PPh3)(Huch)] (3) complexes were isolated from reactions of trans-[(ReOBr3)-O-V(PPh3)(2)] with Htch and H(3)uch [(5Z)-5-((4-hydroxy-2-methoxy-2H-chromen-3-yl)methyleneamino)-6-amino-1,3-dimethylpyrimidine-2,4(1H, 3H)-dione], respectively. The chromone Schiff bases and their metal complexes were fully characterized via NMR-, IR- and UV-Vis spectroscopy, single crystal XRD analysis and conductivity measurements. In addition, DFT studies were conducted to compare selected optimized and experimental parameters of the complexes.