Affiliation:
1. School of Physical Science and Technology , Southwest University , Chongqing 400715 , P.R. China
Abstract
Abstract
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
d
x
2
−
y
2
${{\text{d}}_{{{\text{x}}^2} - {{\text{y}}^2}}}$
to dxy (≈16412 cm−1) and
d
z
2
${{\text{d}}_{{{\text{z}}^2}}}$
(≈14845 cm−1) agree well with the band analysis results
(d
x
2
−
y
2
→
d
xy
${\text{(}}{{\text{d}}_{{{\text{x}}^2} - {{\text{y}}^2}}} \to {{\text{d}}_{{\text{xy}}}}$
≈16410 and
d
x
2
−
y
2
→
d
z
2
${{\text{d}}_{{{\text{x}}^2} - {{\text{y}}^2}}} \to {{\text{d}}_{{{\text{z}}^2}}}$
≈14850 cm−1). The unresolved separations
d
x
2
−
y
2
→
d
xz
${{\text{d}}_{{{\text{x}}^2} - {{\text{y}}^2}}} \to {{\text{d}}_{{\text{xz}}}}$
and
d
x
2
−
y
2
→
d
yz
${{\text{d}}_{{{\text{x}}^2} - {{\text{y}}^2}}} \to {{\text{d}}_{{\text{yz}}}}$
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
d
x
2
−
y
2
→
d
xy
${{\text{d}}_{{{\text{x}}^2} - {{\text{y}}^2}}} \to {{\text{d}}_{{\text{xy}}}}$
(=E1≈10Dq) suffered an increase with a decrease in R̅L which was evaluated as the mean value of the copper-ligand bond lengths. The correlations between the tetragonal elongation ratio ρ (=(R
z–R̅L)/R̅L) (or the ratio G=(g
z–g
e)/((g
x+g
y)/2–g
e)) and the g isotropy g
av (=(g
x+g
y+g
z)/3) (or the covalency factor N) for CuA, CuB and CuC were acquired and all the results were discussed.
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy,Mathematical Physics
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