Structure and magnetic property of μ-alkoxo–μ-6-methoxypurinate double bridged dinuclear copper(II) complex

A new μ-alkoxo–μ-6-methoxypurinate double bridged dinuclear copper(II) complex [Cu2(L)(μ-6-meo-pur)(dmf)] (1) (μ-6-meo-pur = μ-6-methoxypurinate, H3L = 1,3-bis(3,5-tert-butyl-salicylideneamino)-2-propanol; dmf = N,N-dimethylformamide) has been prepared and structurally characterized. The single crystal X-ray analysis show that the structure of complexes 1 is dimeric with two adjacent copper(II) atoms double bridged by μ-alkoxo–μ-purinato with the Cu···Cu distances and Cu–O(alkoxo)–Cu angles 3.227(3) Å and 110.30(11)°, respectively. Magnetic measurements reveal that 1 is a ferromagnetically coupled with exchange parameter of 2J = 56.2 cm−1. DFT calculation of spin density of HOMO for 1 was presented.