Towards the blackbox computation of magnetic exchange coupling parameters in polynuclear transition-metal complexes: Theory, implementation, and application

2013 ◽  
Vol 138 (17) ◽  
pp. 174115 ◽  
Author(s):  
Jordan J. Phillips ◽  
Juan E. Peralta
Keyword(s):  
Transition Metal ◽  
Metal Complexes ◽  
Transition Metal Complexes ◽  
Exchange Coupling ◽  
Magnetic Exchange ◽  
Magnetic Exchange Coupling ◽  
Coupling Parameters

scholarly journals A series of tetraazalene radical-bridged M2(M = CrIII, MnII, FeII, CoII) complexes with strong magnetic exchange coupling

2015 ◽  
Vol 6 (11) ◽  
pp. 6639-6648 ◽  
Author(s):  
Jordan A. DeGayner ◽  
Ie-Rang Jeon ◽  
T. David Harris
Keyword(s):  
Transition Metal ◽  
Metal Complexes ◽  
Transition Metal Complexes ◽  
Exchange Coupling ◽  
Magnetic Exchange ◽  
Bridging Ligands ◽  
Magnetic Exchange Coupling

The ability of tetraazalene radical bridging ligands to mediate exceptionally strong magnetic exchange coupling across a range of transition metal complexes is demonstrated.

scholarly journals Transferrable property relationships between magnetic exchange coupling and molecular conductance

2020 ◽  
Vol 11 (42) ◽  
pp. 11425-11434
Author(s):  
Martin L. Kirk ◽  
Ranjana Dangi ◽  
Diana Habel-Rodriguez ◽  
Jing Yang ◽  
David A. Shultz ◽  
...  
Keyword(s):  
Exchange Coupling ◽  
Semiquinone Radical ◽  
Magnetic Exchange ◽  
Magnetic Exchange Coupling ◽  
Coupling Parameters ◽  
Molecular Conductance

Calculated conductance through Aun–S–Bridge–S–Aun constructs are compared to experimental magnetic exchange coupling parameters in TpCum,MeZn(SQ–Bridge–NN) complexes, where SQ = semiquinone radical and NN = nitronylnitroxide radical.

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