Electronic structure of monoligand complexes of transition metals in the X?-scattered wave approximation. I. The complexes M-N2 (M=Mn, Fe, Co, Ni, Cu)

1984 ◽  
Vol 25 (1) ◽  
pp. 5-9
Author(s):  
S. G. Gagarin ◽  
Yu. A. Tererin ◽  
I. G. Fal'kov
1984 ◽  
Vol 49 (12) ◽  
pp. 2837-2856 ◽  
Author(s):  
Peter Pelikán ◽  
Marek Liška

The CNDO method for transition metals in the UHF version has been used to study the equilibrium of configuration isomers of tetrahedral and square-planar tetrafluoro and tetrabromo complexes of the first transition row atoms in the oxidation degree II (Mn(II), Fe(II), Co(II), Ni(II), Cu(II) both in low-spin and in high-spin states. The results show that the ability (given by electronic structure of the central atom) to form the square-planar complexes decreases monotonously in the series: Mn(II) > Fe(II) > Co(II) > Ni(II) > Cu(II). With respect to the effect of the electronic structure of ligands, the same ability decreases in the series: F- > Cl- > Br-.


ChemInform ◽  
2010 ◽  
Vol 30 (18) ◽  
pp. no-no
Author(s):  
Kurt Dehnicke ◽  
Matthias Krieger ◽  
Werner Massa

1982 ◽  
Vol 21 (1-2) ◽  
pp. 41-44 ◽  
Author(s):  
M. E. Volpin ◽  
M. Jáky ◽  
E. M. Kolosova ◽  
M. Yu. Tuvin ◽  
G. N. Novodarova

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