Magnetostructural relationships for Ni(II) ions at octahedral sites in [Ni Zn1−(C2O4)(dmiz)2]: Computational study of zero-field splitting and using superposition model

Polyhedron ◽  
2015 ◽  
Vol 100 ◽  
pp. 282-289 ◽  
Author(s):  
Muhammed Açıkgöz ◽  
Paweł Gnutek ◽  
Czesław Rudowicz
Keyword(s):  
Computational Study ◽  
Zero Field ◽  
Superposition Model ◽  
Zero Field Splitting ◽  
Field Splitting ◽  
Octahedral Sites

Zero-Field Splitting in Pseudotetrahedral Co(II) Complexes: a Magnetic, High-Frequency and -Field EPR, and Computational Study

2013 ◽  
Vol 52 (16) ◽  
pp. 9409-9417 ◽  
Author(s):  
Monika Idešicová ◽  
Ján Titiš ◽  
J. Krzystek ◽  
Roman Boča
Keyword(s):  
High Frequency ◽  
Computational Study ◽  
Zero Field ◽  
Zero Field Splitting ◽  
Field Splitting

SUPERPOSITION MODEL ANALYSIS FOR THE ZERO-FIELD SPLITTING OFMn2+IN SOME CRYSTALS

2006 ◽  
Vol 20 (30) ◽  
pp. 1917-1922 ◽  
Author(s):  
VIMAL KUMAR JAIN
Keyword(s):  
Lattice Relaxation ◽  
Zero Field ◽  
Superposition Model ◽  
Zero Field Splitting ◽  
Intrinsic Parameter ◽  
Order Zero ◽  
Field Splitting ◽  
Zero Field Splitting Parameter ◽  
Local Lattice ◽  
Splitting Parameter

The Newman superposition model has been applied to second-order zero-field splitting parameter [Formula: see text] taken from the literature for Mn2+in Hg(ClO4)2· 6 H2O , M ″ SiF6·6 H2O (M ″= Fe, Co, Zn ) and M ″ NbOF5·6 H2O (M ″= Co, Zn ). In the calculations, the local lattice relaxation has been taken into account. It is shown that nearly the same value of intrinsic parameter b2=-0.057(8) cm-1is obtained.

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