Hydrogen paramagnetism

The nickel supported catalysts formed in this way have some specific features (144)- The catalysts containing about 3% of Ni are paramagnetic. When varying the nickel content from 0.1 to 20%, all the nickel the reduced catalyst (the exposed surface area of nickel was about 600 m2/g Ni) is oxidized by oxygen. The activity in benzene hydrogenation is very high and increases in proportional to the nickel content in the catalyst. 

Plus 52 upper distance limits from the cluster for protons that could not be detected, 126 lower distance limits from the cluster for protons without any appreciable paramagnetic line broadening, and 42 distance constraints derived from hydrogen... 

S. Sinnecker, E. Reijerse, F. Neese and W. Lubitz, Hydrogen bond geometries from paramagnetic resonance and electron-nuclear double resonance parameters Density functional study of quinone radical anion-solvent interactions, J. Am. Chem. Soc., 2004, 126, 3280. 

A second type of defect is associated with boron or aluminum impurities that are present in SiCh- In porous glass Muha (129) observed a rather complex spectrum which results from hyperfine interaction with 10B and UB isotopes. The spectrum is characterized by g = 2.0100, g = 2.0023, an = 15 and a a. = 13 G for nB. The paramagnetic defect is apparently a hole trapped on an oxygen atom which is bonded to a trigonally coordinated boron atom. This center is irreversibly destroyed upon adsorption of hydrogen. 

The hyperfine constant a in Eq. (1) was also taken to be a scalar quantity for the hydrogen atom however, it is in general a tensor because of the various directional interactions in a paramagnetic species. The hyperfine term in the spin Hamiltonian is more correctly written as S-a-I, where a is the hyperfine coupling tensor. 

J. Kroh, B.C. Green, and J.W.J. Spinks, Electron paramagnetic resonance (EPR) studies on the production of free radicals in hydrogen peroxide at liquid nitrogen temperature. J. Am. Chem. Soc. 83, 2201-2202 (1961). 

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