Valence Bond Calculations of Spin Density Distribution in Benzyl Radical

1972 ◽  
Vol 56 (10) ◽  
pp. 5091-5095 ◽  
Author(s):  
Mario Raimondi ◽  
Massimo Simonetta ◽  
Gian Franco Tantardini
Keyword(s):  
Density Distribution ◽  
Spin Density ◽  
Valence Bond ◽  
Spin Density Distribution ◽  
Benzyl Radical

Notizen: 13C-NMR an paramagnetischen Phenylmetallocenen1: Analogie zum Benzylradikal.

1976 ◽  
Vol 31 (8) ◽  
pp. 1153-1154 ◽  
Author(s):  
Frank H. Köhler ◽  
G. Matsubayashi
Keyword(s):  
Density Distribution ◽  
Spin Density ◽  
13C Nmr ◽  
Nmr Spectra ◽  
Hyperfine Coupling ◽  
Spin Density Distribution ◽  
Coupling Constants ◽  
Methyl Radicals ◽  
Benzyl Radical ◽  
C Nmr

The 13C NMR spectra of seven phenylated paramagnetic metallocenes have been recorded. From the spectra the 13C hyperfine coupling constants A(13C) have been extracted and compared with corresponding A(1H). It is found that the phenyl A′s in nickelocenes and cobaltocenes behave as in benzyl radical being reduced by a factor of 27. This offers a new route to informations about spin density distribution in substituted methyl radicals.

Spin density distribution in oxamato-type transition metal complexes

Polyhedron ◽  
2007 ◽  
Vol 26 (9-11) ◽  
pp. 1773-1775 ◽  
Author(s):  
Björn Bräuer ◽  
Tobias Rüffer ◽  
Reinhard Kirmse ◽  
Jan Griebel ◽  
Florian Weigend ◽  
...  
Keyword(s):  
Transition Metal ◽  
Metal Complexes ◽  
Density Distribution ◽  
Spin Density ◽  
Transition Metal Complexes ◽  
Spin Density Distribution ◽  
Type Transition

Theoretical Analysis of the Electron Spin Density Distribution of the Flavin Semiquinone Isoalloxazine Ring within Model Protein Environments

2002 ◽  
Vol 106 (18) ◽  
pp. 4729-4735 ◽  
Author(s):  
José I. García ◽  
Milagros Medina ◽  
Javier Sancho ◽  
Pablo J. Alonso ◽  
Carlos Gómez-Moreno ◽  
...  
Keyword(s):  
Theoretical Analysis ◽  
Density Distribution ◽  
Spin Density ◽  
Electron Spin ◽  
Spin Density Distribution ◽  
Electron Spin Density ◽  
Model Protein

ChemInform Abstract: Spin Density Distribution in Transition Metal Complexes: Some Thoughts and Hints

ChemInform ◽  
2010 ◽  
Vol 31 (15) ◽  
pp. no-no
Author(s):  
Joan Cano ◽  
Eliseo Ruiz ◽  
Santiago Alvarez ◽  
Michel Verdaguer
Keyword(s):  
Transition Metal ◽  
Metal Complexes ◽  
Density Distribution ◽  
Spin Density ◽  
Transition Metal Complexes ◽  
Spin Density Distribution
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