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Deuterium Isotope Effects and Their Nonadditivity in C-13 NMR Spectra of Polydeuteriated trans-N-Benzylideneaniline Isotopomers

Deuterium-induced isotope effects on C-13-NMR chemical shifts in polydeuteriated isotopomers of trans-N-benzylideneaniline were measured and analyzed. These effects are influenced by the molecular conformation and lone-pair electrons, which govern their sign, magnitude and extent. The longest observed total isotope effects are those through eight bonds, (t(8))Delta, in pentadeuteriated isotopomers 3 and 4. In general, the trends observed in trans-N-benzylideneaniline isotopomers investigated here are similar to those found in isoelectronic hydrocarbons and molecules of related type. However, nonadditivity has been found for carbon atoms sensitive to changes in the distribution of rotamer populations caused by the isotopic substitution.

NMR-spectra ; Chemical shifts ; Hybridization ; Dependence

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