Electronic Structure, Reactivity, and Magnetic Properties of Paramagnetic Tetrahedral Dinuclear Cobaltous Complexes
Ali K. Almansori,
Falah S. Abd-Suhail
Abstract:The tetrahedral paramagnetic di-cobaltous complex is an important class of coordination compounds that have many applications in various fields such as catalysis, single molecular magnet (SMM), and spintronics[1], using BP86 functional[24] with def2-TZVP[25], basis set, while the broken symmetry theoretical method was conducted by B3LYP functional, the reactivity of the synthesized paramagnetic di cobaltous [Co2LI2OH] + complex[2] can be enhanced by the lowering HOMO-LUMO gap effect of oxo bridging ligand inst… Show more
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