Electronic Structure of Monodithiolated IronOxotungsten Heterometallic Complexes: Integer-Spin FeW Assembly

FeW heterometallic complexes, in which an FeX 2 (X=Cl, SPh) moiety is attached to monodithiolene oxotungsten through a sulfide bridge, that is, [Ph 4 P] 2 [Cl 2 Fe(S) 2 WOS 2 ] ( 1 ), [Ph 4 P] 2 [Cl 2 Fe(S) 2 WOS 2 (DMED)] ( 2 , DMED=dimethylethylenedicarboxylate), [Ph 4 P] 2 [Cl 2 Fe(S) 2 WO(tdt)] ( 3 , tdt=toluenedithiolate), [Ph 4 P] 2 [(SPh) 2 Fe(S) 2 WO(tdt)] ( 4 ), and [Ph 4 P] 2 [Cl 2 Fe(S) 2 WO(edt)] ( 5 , edt=ethanedithiolate), are...