Spin density, aniline radical cation

We have found in our work that these parameters give excellent agreement with experimental spin densities for trimethylsilyl-and trimethylgermyl-substituted aniline radical cations (29, 28). [Pg.303]

FIGURE 29. Electron spin density of the aniline radical cation in the molecular plane (UB3LYP/6-311++G(d,p))... [Pg.137]

Because of its sensitivity to electron spin density, EPR is an ideal tool to answer questions concerning the degree of delocalisation in conducting polymers, such as poly(aniline). EPR spectra of radical cations of oligomers, representative of a... [Pg.728]

Quantitative separation of the n contact and pseudocontact contributions to the lanthanide induced shifts (LIS) in aniline and m-and p-toluidines has been reported. (395, 396) The contact shift patterns are estimated from the rr-spin density distribution of the appropriate cation radical or from the Ni(acac)2 induced shifts. The separation of the shifts was checked by comparing the relative contact shift contribution with the <5 ) value of Golding and Halton (389) and the remaining pseudocontact contribution with the calculated values of Bleaney s theory. (380)... [Pg.71]

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