scholarly journals Thermal spin crossover in Fe(ii) and Fe(iii). Accurate spin state energetics at the solid state

2020 ◽  
Vol 22 (9) ◽  
pp. 4938-4945 ◽  
Author(s):  
Sergi Vela ◽  
Maria Fumanal ◽  
Jordi Cirera ◽  
Jordi Ribas-Arino
Keyword(s):  
Solid State ◽  
Spin State ◽  
Spin Crossover ◽  
Spin Crossover Complexes

Parametrization of PBE+U under the D3 and D3-BJ dispersion corrections to study FeII and FeIII-based Spin Crossover complexes.

ChemInform Abstract: Dynamics of Spin-State Interconversion and Cooperativity for Ferric Spin-Crossover Complexes in the Solid State.

1986 ◽  
Vol 17 (23) ◽  
Author(s):  
M. D. TIMKEN ◽  
C. E. STROUSE ◽  
S. M. SOLTIS ◽  
S. A. DAVERIO ◽  
D. N. HENDRICKSON ◽  
...  
Keyword(s):  
Solid State ◽  
Spin State ◽  
Spin Crossover ◽  
Spin Crossover Complexes

Spin state variability in Fe2+ complexes of substituted (2-(pyridin-2-yl)-1,10-phenanthroline) ligands as versatile terpyridine analogues

2017 ◽  
Vol 46 (19) ◽  
pp. 6218-6229 ◽  
Author(s):  
Holm Petzold ◽  
Paul Djomgoue ◽  
Gerald Hörner ◽  
Silvio Heider ◽  
Charles Lochenie ◽  
...  
Keyword(s):  
Solid State ◽  
Spin State ◽  
In Silico ◽  
Spin Crossover ◽  
Spin Crossover Complexes ◽  
Phenanthroline Ligands

Fe2+ spin crossover complexes [Fe(L)2]2+ (L = substituted (pyridin-2-yl)-1,10-phenanthroline) were prepared and SCO properties were investigated in solution and in the solid state by an experiment and in silico.

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