Abstract
Abstract A new dinuclear paddlewheel Cu(II)-metallamacrocycle with the formula [{Cu2(3-bpoba)(adman)4}·3DMF]2 (1) (where, 3-bpoba is 4,4′-oxybis(N-(pyridin-3-yl)benzamide); adman is 1-adamantanecarboxylic acid), has been synthesized using the solvothermal protocol. A single-crystal X-ray analysis reveals that 1 exhibit a dinuclear paddlewheel metallamacrocycle architecture, where the co-ligand adman is playing a crucial role in the formation of metallacyclic structure. TGA analysis suggests that 1 is stable up to 250 °C. Density Functional Theory (DFT) has been employed to calculate the equilibrium geometry of the complex as isolated species in the gaseous phase. The structural analysis was complemented by additional spectroscopic studies and Hirshfeld surface analysis. Variable temperature magnetic susceptibility measurements on 1 show a strongly coupled magnetic dimer (J = −538(2) K) as expected for a classic Cu-paddlewheel structure.
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