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Theoretical studies of the local structures and electron paramagnetic resonance parameters for Cu center in Zn(C 3 H 3 O 4 ) 2 (H 2 O) 2 single crystal.
- Source :
-
Radiation Effects & Defects in Solids: Incorporating Plasma Techniques & Plasma Phenomena . Jul2014, Vol. 169 Issue 7, p603-609. 7p. - Publication Year :
- 2014
-
Abstract
- The electron paramagnetic resonance (EPR) parameters (gfactorsgxx,gyy,gzzand hyperfine structure constantsAxx,Ayy,Azz) are interpreted by taking account of the admixture of d-orbitals in the ground state wave function of the Cu2+ion in a Zn(C3H3O4)2(H2O)2(DABMZ) single crystal. Based on the calculation, local structural parameters of the impurity Cu2+center were obtained (i.e. Ra≈1.92 Å,Rb≈1.96 Å,Rc≈1.99 Å). The theoretical EPR parameters based on the above Cu2+−O2−bond lengths in the DABMZ crystal show good agreement with the observed values and some improvements have been made as compared with those in the previous studies. [ABSTRACT FROM AUTHOR]
- Subjects :
- *PARAMAGNETIC resonance
*COPPER
*RESONANCE
*PARAMAGNETISM
*MAGNETIC resonance
Subjects
Details
- Language :
- English
- ISSN :
- 10420150
- Volume :
- 169
- Issue :
- 7
- Database :
- Academic Search Index
- Journal :
- Radiation Effects & Defects in Solids: Incorporating Plasma Techniques & Plasma Phenomena
- Publication Type :
- Academic Journal
- Accession number :
- 97130189
- Full Text :
- https://doi.org/10.1080/10420150.2014.913590