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New [M(SCN) 2 (L) 4 ] complexes, where M=Mn(II), Ni(II), Cu(II) and L=1-methylimidazole have been synthesized. The electronic structures of the complexes were calculated using the DFT method, and the descriptions of frontier molecular orbitals and the relocation of the electron density of the compounds were determined. The crystal field splitting, Racah repulsion and nephelauxetic...
New [M(SCN) 2 (L) 4 ] complexes, where M=Mn(II), Co(II), Ni(II) and L=2-hydroxy-6-methylpyridine were synthesized. Electronic structures of the complexes were calculated using DFT method, and the descriptions of frontier molecular orbitals and the relocation of the electron density of the compounds were determined. The crystal field splitting, Racah repulsion and nepheloauxetic parameters...
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