A mixed valence zinc dithiolene system with spectator metal and reactor ligands.

ABSTRACT: Neutral complexes of zinc with N,N'-diisopropylpiperazine-2,3-dithione ( ⁱ Pr₂Dt⁰) and N,N'-dimethylpiperazine-2,3-dithione (Me₂Dt⁰) with chloride or maleonitriledithiolate (mnt^2-) as coligands have been synthesized and characterized. The molecular structures of these zinc complexes have been determined using single crystal X-ray diffractometry. Complexes recrystallize in monoclinic P type systems with zinc adopting a distorted tetrahedral geometry. Two zinc complexes with mixed-valent dithiolene ligands exhibit ligand-to-ligand charge transfer bands. Optimized geometries, molecular vibrations and electronic structures of charge-transfer complexes were calculated using density functional theory (B3LYP/6-311G+(d,p) lev

SUBMITTER: Ratvasky SC 

PROVIDER: S-EPMC5033126 | biostudies-literature | 2016 Aug

REPOSITORIES: biostudies-literature