ESR AND ENDOR STUDIES OF FREE RADICALS HAVING UNPAIRED SPIN DENSITY LOCALIZED PRIMARILY ON OXYGEN

1984 ◽  
pp. 77-86
Keyword(s):  
Free Radicals ◽  
Spin Density ◽  
Unpaired Spin Density ◽  
Unpaired Spin ◽  
Esr And Endor Studies

Unpaired Spin Density in OrderedFe3Al

1961 ◽  
Vol 123 (4) ◽  
pp. 1163-1171 ◽  
Author(s):  
S. J. Pickart ◽  
R. Nathans
Keyword(s):  
Spin Density ◽  
Unpaired Spin Density ◽  
Unpaired Spin

Controlling Electron Transfer Dynamics in Donor−Bridge−Acceptor Molecules by Increasing Unpaired Spin Density on the Bridge†

2007 ◽  
Vol 111 (24) ◽  
pp. 6728-6737 ◽  
Author(s):  
Erin T. Chernick ◽  
Qixi Mi ◽  
Amy M. Vega ◽  
Jenny V. Lockard ◽  
Mark A. Ratner ◽  
...  
Keyword(s):  
Electron Transfer ◽  
Spin Density ◽  
Unpaired Spin Density ◽  
Unpaired Spin ◽  
Acceptor Molecules

Organophosphazenes. 25. The synthesis and electrochemistry of the dicobalt hexacarbonyl complexes of phenylethynylcyclophosphazenes

2002 ◽  
Vol 80 (11) ◽  
pp. 1393-1397 ◽  
Author(s):  
Maneesh Bahadur ◽  
Christopher W Allen ◽  
William E Geiger ◽  
Adam Bridges
Keyword(s):  
Spin Density ◽  
Nmr Spectra ◽  
Esr Spectra ◽  
Radical Anions ◽  
Electrochemical Studies ◽  
Unpaired Spin Density ◽  
Unpaired Spin ◽  
Electron Reduction ◽  
Dicobalt Hexacarbonyl

The syntheses of the dicobalt hexacarbonyl complexes, N3P3F6-n(C[Formula: see text]CPhCo2(CO)6)n (n = 1 (3), n = 2 (4)), is reported. The introduction of the organometallic fragment allows for simplification of the NMR spectra and separation of the isomers of the disubstituted (4) derivatives. Electrochemical studies show that 3 undergoes a reversible one-electron reduction. At 233 K, the geminal isomer of 4 undergoes two separate reversible one-electron reductions. The ESR spectra of the radical anions of 3 and 4 have been obtained and show the absence of delocalization of unpaired spin density from the organometallic cluster to the phosphazene.Key words: cyclophosphazenes, cobalt–alkyne clusters, electrochemistry, ESR.

Di-(1-adamantyl)iminoxy. Preparation and Dipole Moment

1974 ◽  
Vol 52 (20) ◽  
pp. 3554-3556 ◽  
Author(s):  
D. Lindsay ◽  
E. C. Horswill ◽  
D. W. Davidson ◽  
K. U. Ingold
Keyword(s):  
Dipole Moment ◽  
Solid State ◽  
Spin Density ◽  
Room Temperature ◽  
Dipole Moments ◽  
Crystalline Material ◽  
Unpaired Spin Density ◽  
Unpaired Spin

The di-(1-adamantyl)iminoxy radical, (1-Ad)2C=NO•, has been prepared from the corresponding imine. It is a blue, crystalline material that is stable indefinitely in air at room temperature in the solid state. Dipole moments have been measured in benzene at 30° for the radical (2.90 D), for (1-Ad)2C=NH (2.49 D), and for (1-Ad)2C=NOMe (0.79 D). In the radical the unpaired spin density on nitrogen is estimated to be ca. 25%.

ENDOR Study of the Unpaired Spin Density in KZnF3:Mn2+

1970 ◽  
Vol 41 (3) ◽  
pp. 1116-1118 ◽  
Author(s):  
R. K. Jeck ◽  
J. J. Krebs ◽  
V. J. Folen
Keyword(s):  
Spin Density ◽  
Unpaired Spin Density ◽  
Unpaired Spin

Delocalization of the unpaired spin density in some niobocene complexes with σ-donor, π-acceptors

1994 ◽  
Vol 470 (1-2) ◽  
pp. 127-130 ◽  
Author(s):  
Antonio Antiñolo ◽  
Mariano Fajardo ◽  
Ernesto de Jesús ◽  
Yves Mugnier ◽  
Antonio Otero
Keyword(s):  
Spin Density ◽  
Unpaired Spin Density ◽  
Unpaired Spin

The calculation of positive ancl negative spin densities in aromatic free radicals

1966 ◽  
Vol 19 (5) ◽  
pp. 897 ◽  
Author(s):  
FC Adam ◽  
WG Laidlaw
Keyword(s):  
Free Radicals ◽  
Spin Density ◽  
Excellent Agreement ◽  
Electron Spin ◽  
Simple Method ◽  
Unpaired Spin ◽  
Type Calculation ◽  
The Difference ◽  
Closed Shells ◽  
Spin Densities

A simple method of calculating the unpaired π electron spin density is proposed which equates the unpaired spin density to the difference between a density of n-1 electrons of a spin and a density of n electrons of β spin. The α spin density is found from an SCF-Pariser-Parr type calculation for 2(n+l) electrons in n + 1 closed shells and the β spin density from a calculation on 2n electrons in n, closed shells. Positive and negative spin densities are found which are in excellent agreement with experiment. These results are compared to spin densities calculated by other methods, and an improvement is noted in the representative cases considered.

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