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The infrared spectra are translated together with group frameworks are decided by thickness functional computations. The bottom condition of Cu2O2(CO)n+ are intrinsically a dicopper superoxide carbonyl with [(OC)xCuOOCu(CO)y]+ ( x + y = n) frameworks in which CO ligands coordinate a zigzag Cu(OO)Cu+ core. The dwelling characterization for Cu(OO)Cu+ core-based groups is vital to correctively comprehend the connected catalytic responses by
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