Linear free energy relationships in theoretical NMR 13С spectra of sin-[(1-R-η3 -C3H4)Pd(Me2C=O)2]+ complexes

M. H. Elhussien, E. M. Evstigneeva, V. R. Flid
2010 Тонкие химические технологии  
Both theoretical values of NMR 13С chemical shifts and frontier orbital energies (DFT method) for syn-[(1-R-η3-C3H4)Pd(Me2C=O)2]+ follow one- and two-parameter linear regressions which involve σ+ and σ- constants, as well as Swain-Lupton parameters R+, R- and F.
doaj:32478cfcdfec4f978103898f01ea6d6e fatcat:nnrf5ynoznac5m7bicoc2e4mre