INDO molecular orbital calculation of anisotropic hyperfine coupling constants

1969 ◽  
Vol 4 (3) ◽  
pp. 126-128 ◽  
Author(s):  
David L. Beveridge ◽  
James W. McIver
Keyword(s):  
Molecular Orbital ◽  
Hyperfine Coupling ◽  
Molecular Orbital Calculation ◽  
Coupling Constants ◽  
Hyperfine Coupling Constants ◽  
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.

E.P.R. studies of the anions of some peri-alkylnaphthalenes

1972 ◽  
Vol 25 (11) ◽  
pp. 2353 ◽  
Author(s):  
RFC Claridge ◽  
BM Peake
Keyword(s):  
Electron Spin Resonance ◽  
Molecular Orbital ◽  
Electron Spin ◽  
Hyperfine Coupling ◽  
Inductive Effect ◽  
Coupling Constants ◽  
Radical Anions ◽  
Hyperfine Coupling Constants ◽  
Spin Resonance ◽  
Aliphatic Substituent

The hyperfine coupling constants for the radical anions of 2,3-dihydro- phenalene (perinaphthane) and 7,8,9,l0-tetrahydrocyclohepta[de]naphthalene have been determined from analysis of the electron spin resonance spectra in solution. The results are compared with data from other mono- and di-peri- substituted naphthalenes. A simple H�ckel molecular orbital treatment is used to describe the inductive effect of the aliphatic substituent.

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