Structural and theoretical studies of (E,E)-benzaldehyde azine and its rhenium(IV) complex

Rhenium Complex with Noninnocent Dioxolene Ligand: Combined Experimental and ab Initio Study of [(3,5-di-tert-Bu2C6H2O2)ReCl3(OPPh3)]

“…According to the literature, with 3,5-di- tert -butyl-1,2-benzoquinone (3,5-DTBQ), Re can form both semiquinolate (in [Re­(CO) 3 ­(PPh 3 )­(3,5-DTBSQ)] , ) and catecholate (in (NEt 4 )­[ReO 2 ­(3,5-DTBCat) 2 ], (NEt 4 )­[ReO­(3,5-DTBCat) 2 ], and [Re­(3,5-DTBCat) 3 ]) type complexes. To the best of our knowledge, only a few examples of Re­(IV) complexes with dioxolene-type ligands have been reported. , The magnetic properties were measured only for the [Re IV Cl 4 (Cat)] 2– complex; they correspond to the quartet ground state ( S = 3 / 2 ) with enough large zero-field splitting (ZFS) (|2 D | = 190 cm –1 ) . Only one complex of Re­(IV) with a natural 1,2-naphthoquinone derivative, β-lapachone, was synthesized and assigned to the semiquinolate-type complex.…”

A hydrogen bonded azine as a building block for π-conjugated polymers and their semiconducting properties

“…6 The geometrical parameters in single crystals were used to evaluate the extent of π-conjugation in azines. 21,22 The s-transoidal gauche conformation is the preferred structure in most of the azines. 23 This type of conformation has torsional angles across the azine (CvN-NvC) in the range of 115-165°.…”