Investigations of the EPR parameters for Cu2+ in [Cu(ipt)(dap)H2O] n •nH2O

The electron paramagnetic resonance (EPR) spectra of [Cu(l-tyrosine)2]n(CuA) were interpreted based on the fourth-order perturbation treatments where the contributions due to the local distortion, ligand orbit and spin-orbit coupling were included. The calculated band transitions${{\text{d}}_{{{\text{x}}^2} - {{\text{y}}^2}}}$to dxy(≈16412 cm−1) and${{\text{d}}_{{{\text{z}}^2}}}$(≈14845 cm−1) agree well with the band analysis results${\text{(}}{{\text{d}}_{{{\text{x}}^2} - {{\text{y}}^2}}} \to {{\text{d}}_{{\text{xy}}}}$≈16410 and${{\text{d}}_{{{\text{x}}^2} - {{\text{y}}^2}}} \to {{\text{d}}_{{{\text{z}}^2}}}$≈14850 cm−1). The unresolved separations${{\text{d}}_{{{\text{x}}^2} - {{\text{y}}^2}}} \to {{\text{d}}_{{\text{xz}}}}$and${{\text{d}}_{{{\text{x}}^2} - {{\text{y}}^2}}} \to {{\text{d}}_{{\text{yz}}}}$in the absorption spectra were evaluated as 26283 and 26262 cm−1, respectively. For CuA, copper chromophores in 1,3-diaminorpropane isophtalate copper(II) complex (CuB) and N-methyl-1,2-diaminoetaane-bis copper(II) polymer (CuC), the transition${{\text{d}}_{{{\text{x}}^2} - {{\text{y}}^2}}} \to {{\text{d}}_{{\text{xy}}}}$(=E1≈10Dq) suffered an increase with a decrease inR̅Lwhich was evaluated as the mean value of the copper-ligand bond lengths. The correlations between the tetragonal elongation ratioρ(=(Rz–R̅L)/R̅L) (or the ratioG=(gz–ge)/((gx+gy)/2–ge)) and thegisotropygav(=(gx+gy+gz)/3) (or the covalency factorN) for CuA, CuB and CuC were acquired and all the results were discussed.

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Investigations of the EPR parameters for Cu2+ in [Cu(ipt)(dap)H2O] n •nH2O

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References 27 publications

Investigations of the EPR parameters for three copper complexes

Investigations of the EPR parameters for three copper complexes

Interpretation of the Electron Paramagnetic Resonance Spectra of Copper(II)–Tyrosine Complex

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