Cationic Silyldiazenido Complexes Of The Fe(Diphosphine)(2)( N-2) Platform: Structural And Electronic Models For An Elusive First Intermediate In N-2 Fixation

The first cationic Fe silyldiazenido complexes, [Fe(PP)(2)(NN-SiMe3)](+) [BAr4F](-) (PP = dmpe/depe), have been synthesised and thoroughly characterised. Computational studies show the compounds to be useful structural and electronic surrogates for the more elusive [Fe(PP)(2)(NN-H)](+), which are postulated intermediates in the H+/e(-) mediated fixation of N-2 by Fe(PP)(2)(N-2) species.