Ring proton data, least-squares

Least Squares Linear Regression Lines For Alkyl Uranocene Ring Proton Data... 

We proceeded to verify if the approximation of neglecting the contact contribution to the LIS values is warranted. Plots of fa/ Sz)j vs Cj/(Sz j (eq. (66)) and Spara/C vs (Sz)j/Cj (eq. (67)) for the XH NMR data of [7 2(L15-2H)3] (R = Ce, Pr, Nd, Eu) do not give very good linear correlations (fig. 61a). The irregularities are possibly due to deviations of the relative dipolar shift values from relative Bleaney s constants Cy, in particular for the Ce and Pr ions and inner-ring protons, as observed before (Buchler et al., 1992). The contact T) and pseudocontact Bq(G + G ) terms, obtained according to least-squares fits of eq. (65), indicate that some of the protons do have non-negligible contact shifts (table 26). 

Least Squares Linear Regression Analysis of VT H NMR Data for Ring Protons in Uranocene, Octamethyluranocene and the Unsubstituted Ring in Monosubstituted Uranocenes. 

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