Theoretical study of the nuclear degrees of freedom in the isotropic and anisotropic hyperfine coupling constants of the C2H5radical: a Feynman path integral–density functional approach

2005 ◽  
Vol 103 (1) ◽  
pp. 105-127 ◽  
Author(s):  
Joachim Schulte ◽  
Michael C. Böhm * ◽  
Rafael Ramírez * ◽  
Telesforo López-Ciudad
Keyword(s):  
Density Functional ◽  
Degrees Of Freedom ◽  
Hyperfine Coupling ◽  
Theoretical Study ◽  
Functional Approach ◽  
Coupling Constants ◽  
Feynman Path Integral ◽  
Feynman Path ◽  
Integral Density ◽  
Anisotropic Hyperfine

A [3Fe–3S]3+ cluster with exclusively μ-sulfide donors

2016 ◽  
Vol 52 (6) ◽  
pp. 1174-1177 ◽  
Author(s):  
Yousoon Lee ◽  
Ie-Rang Jeon ◽  
Khalil A. Abboud ◽  
Ricardo García-Serres ◽  
Jason Shearer ◽  
...  
Keyword(s):  
Mössbauer Spectroscopy ◽  
Ground State ◽  
Hyperfine Coupling ◽  
Mossbauer Spectroscopy ◽  
Variable Temperature ◽  
Coupling Constants ◽  
Hyperfine Coupling Constants ◽  
Mößbauer Spectroscopy ◽  
Pyramidal Geometry ◽  
Anisotropic Hyperfine

A [3Fe–3(μ-S)]3+ cluster is reported in which each ferric center has a distorted trigonal pyramidal geometry, with an S = 1/2 ground state for the cluster and unusually anisotropic hyperfine coupling constants as determined by variable temperature magnetometry and Mössbauer spectroscopy.

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