Preparation and Crystal Structure of Tetrakis(μ-2,4,5-trimethoxybenzoato-κO:κO′)bis[(methanol)copper(II)]-N,N-dimethylformamide (1/2) in Relation to Adsorption Property for N₂

Abstract

A dinuclear copper(II) carboxylate with 2,4,5-trimethoxybenzoic acid (H245-tmbz), tetrakis(μ-2,4,5-trimethoxybenzoato-κO:κO′)bis[(methanol)copper(II)]-N,N-dimethylformamide (1/2), [Cu₂(245-tmbz)₄(CH₃OH)₂]·2dmf (dmf = N,N-dimethylformamide), was prepared. The crystal structure was determined by the single-crystal X-ray diffraction method at 90 K. It crystallizes in the triclinic space group, P1, with a = 11.2532(13)Å, b = 11.6634(13)Å, c = 12.3118(14)Å, α = 65.354(2)°, β = 65.025(2)°, γ = 72.661(2)°, V = 1316.7(3)ų, D_x = 1.491 g/cm³, and Z = 1. The R1 [I > 2σ(I)] and wR2 (all data) values are 0.0328 and 0.0846, respectively, for all 6035 independent reflections. The unit cell contains a μ-syn-syn-benzoato-bridged dinuclear cluster (Cu···Cu 2.5847(5)Å) with apical methanol molecules, which are hydrogen bonded to the crystal dmf molecules. Adsorption isotherm measurement showed the Type II adsorption property with an S_BET of 4.7 m² g⁻¹ for N₂.