Proton and carbon-13 NMR studies of electron spin delocalization in nickel(II) bis(alkyl xanthate) complexes of nitrogenous bases and comparison with nickel-nitroxyl interactions in analogous spin-labeled complexes

1989 ◽  
Vol 28 (25) ◽  
pp. 4496-4499 ◽  
Author(s):  
Scott K. Sheppard ◽  
Gareth R. Eaton ◽  
Sandra S. Eaton
1986 ◽  
Vol 64 (4) ◽  
pp. 769-772 ◽  
Author(s):  
Donald R. Arnold ◽  
A. Martin de P. Nicholas ◽  
Kent M. Young

The linear relationship between the electron spin resonance hyperfine coupling constants (hfc) of the α- and β-hydrogens of para-substituted α-phenethyl radicals provides experimental evidence that the magnitude of both the α- and β -hfc is determined largely by the extent of spin delocalization in these benzylic systems. The [Formula: see text] scale, developed using substituted benzyl radicals, is shown to apply to phenethyl radicals as well.


1999 ◽  
Vol 83 (24) ◽  
pp. 5074-5077 ◽  
Author(s):  
A. E. Dementyev ◽  
N. N. Kuzma ◽  
P. Khandelwal ◽  
S. E. Barrett ◽  
L. N. Pfeiffer ◽  
...  

1998 ◽  
Vol 53 (6-7) ◽  
pp. 447-452
Author(s):  
Takahiro Iijima ◽  
Kengo Orii ◽  
Motohiro Mizuno ◽  
Masahiko Suhara

Abstract The temperature dependences of 2H and 195Pt NMR spectra and the spin-lattice relaxation time T1 were measured for [Cu(H2O)6][PtCl6]. From the simulation of 2H NMR spectra, the jump rate of 180° flips of the water molecules (k), the nuclear quadrupole interaction parameters (e2Qq/h, ƞ) and the electron-nucleon dipolar interaction parameter (vD) were obtained. By measuring 2H T1, k was estimated in the temperature range where the spectrum is insensitive to the motion of the water molecules. Above the phase transition temperature, the pre-exponential factor k0 = 8 x1011 s-1 and the activation energy Ea = 15 kJmol-1 for 180° flips of the water molecules were obtained from the spectral simulation and T1. 195Pt NMR spectra showed an axially symmetric and unsymmetric powder pattern of the chemical shift anisotropy at the high and low temperature phase, respectively. For the deuterated compound, the correlation times of the electron spin in Cu2+ were estimated from 195Pt T1 and the activation energy for jumping between the different configurations of Jahn-Teller distortion Δ = 200 K was obtained.


1987 ◽  
Vol 4 (8) ◽  
pp. 947-951 ◽  
Author(s):  
H Käss ◽  
P Höfer ◽  
A Grupp ◽  
P. K Kahol ◽  
R Weizenhöfer ◽  
...  

1999 ◽  
Vol 103 (1-3) ◽  
pp. 2333-2334 ◽  
Author(s):  
Goro Maruta ◽  
Sadamu Takeda ◽  
Kizashi Yamaguchi ◽  
Kazumasa Ueda ◽  
Toyonari Sugimoto

1974 ◽  
Vol 27 (1) ◽  
pp. 213 ◽  
Author(s):  
Yau Yan. Lim

The interaction between bis(ethylxanthato)nickel(11) and pyridine and 4-picoline in nitrobenzene was studied by N.M.R. spectroscopy at 34�C. The 1 : 2 equilibrium constants and proton n.m.r, isotropic contact shifts were obtained. The electron spin delocalization mechanism in the 1 : 2 adduct was discussed.


1986 ◽  
Vol 64 (2) ◽  
pp. 270-276 ◽  
Author(s):  
A. Martin de P. Nicholas ◽  
Donald R. Arnold

Electron spin resonance (esr) hfc values of π-radicals are found to be linearly related to the stabilization energy due to spin delocalization. Application of this relationship to benzyl radicals permits the representation of σ•α values on an energy scale. Mulliken charges in the α- and β-spin systems are found to provide valuable information about factors governing the effects of substituents on spin delocalization in benzyl radicals. These effects can be rationalized by considering four types of spin–spin interactions involving σ- and π-electrons in the α- and β-spin systems. The Mulliken analysis shows that all substituents are stronger π α-acceptors (or weaker π α-donors) at the para position relative to the meta position. Similarly, in the 3 system the meta derivatives are the better acceptors. This may be understood in terms of the excess of π α-spin at the para-carbon and the excess of π β-spin at the meta-carbon. Similar effects are observed in the a framework.


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