DFT magnetic characterization of a Fe4SMMs series: from isotropic exchange interactions to multi-spin zero field splitting

2014 ◽  
Vol 2 (39) ◽  
pp. 8333-8343 ◽  
Author(s):  
Alessandro Lunghi ◽  
Federico Totti
Keyword(s):  
Exchange Interactions ◽  
Zero Field ◽  
Zero Field Splitting ◽  
Magnetic Characterization ◽  
Field Splitting ◽  
Isotropic Exchange

MnIII zero-field splitting parameters and weak exchange interactions in a cyanide-bridged {MnIII–IrIII–MnIII} cluster

2012 ◽  
Vol 24 ◽  
pp. 24-28 ◽  
Author(s):  
Kasper S. Pedersen ◽  
Marc Sigrist ◽  
Høgni Weihe ◽  
Philip L.W. Tregenna-Piggott ◽  
Magnus Schau-Magnussen ◽  
...  
Keyword(s):  
Exchange Interactions ◽  
Zero Field ◽  
Zero Field Splitting ◽  
Field Splitting ◽  
Weak Exchange

Characterization of the triplet state of aromatic esters and nitriles. Evaluation of the steric effect on the triplet of methyl mesitoate

1977 ◽  
Vol 55 (14) ◽  
pp. 2728-2731 ◽  
Author(s):  
D. R. Arnold ◽  
J. R. Bolton ◽  
G. E. Palmer ◽  
K. V. Prabhu
Keyword(s):  
Electron Spin Resonance ◽  
Steric Effect ◽  
Zero Field ◽  
Zero Field Splitting ◽  
Triplet Energy ◽  
Field Splitting ◽  
Aromatic Esters ◽  
Spin Resonance ◽  
Phosphorescence Emission

The phosphorescence emission and electron spin resonance spectra of methyl mesitoate (1) and mesitonitrile (2) have been studied in order to assess the steric effect (inhibition of resonance) in the former. The triplet energy of 1 (80.5 kcal mol−1) is considerably higher than that of 2 (74.2 kcal mol−1) while the zero-field splitting parameters are very similar (1, D/hc = 0.127 cm−1, E/hc = 0.013 cm−1; 2, D/hc = 0.127 cm−1, E/hc = 0.006 cm−1). The triplet energy and zero-field splitting parameters of o-, m-, and p-methyl toluate and o-, m-, and p-tolunitrile are also reported.

Correlating the axial Zero Field Splitting with the slow magnetic relaxation in GdIII SIMs

2021 ◽  
Author(s):  
Júlia Mayans ◽  
Albert Escuer
Keyword(s):  
Magnetic Relaxation ◽  
Zero Field ◽  
Zero Field Splitting ◽  
Field Splitting ◽  
Slow Magnetic Relaxation

A possible relation between the value of the axial Zero Field Splitting and the occurrence of field-induced slow magnetic relaxation has been established for a new gadolinium(iii) compound.

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