Crystallographic, spectroscopic and theoretical studies of an electron-deiocalized Cu(1.5)–Cu(1.5) complex

Abstract

The mixed-valence complex [Cu₂L]³⁺1[L ={N[CH₂CH₂N(H)CH₂CH₂N(H)CH₂CH₂]₃N]} has been shown from EPR, visible Spectroscopic, and single-crystal X-ray diffraction measurements to possess an unpaired electron delocalized over a short Cu(1.5)–Cu(1.5) bond in both the hydrated nitrate [2.364(2)Å] and acetate [2.415(2)Å] salts: Fenske–Hall MO analysis reveals direct σ-bonding interactions between the copper centers.