Original scientific paper

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

Vilko Smrečki ; Department of Chemistry, Ruder Bošković Institute, P.O. Box 1016, 10001 Zagreb, Croatia
Dražen Vikić-Topić ; Department of Chemistry, Ruder Bošković Institute, P.O. Box 1016, 10001 Zagreb, Croatia
Zlatko Meić ; Department of Chemistry, Ruder Bošković Institute, P.O. Box 1016, 10001 Zagreb, Croatia
Predrag Novak ; Department of Chemistry, Ruder Bošković Institute, P.O. Box 1016, 10001 Zagreb, Croatia

Abstract

Deuterium-induced isotope effects on 13C-NMR chemical shifts in polydeuteriated isotopomers of trares-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>d, in pentadeuteriated isotopomers 3 and 4. In general, the trends observed in trans-N-ben- zylideneaniline 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.

Keywords

Hrčak ID:

135986

URI

https://hrcak.srce.hr/135986

Publication date:

2.12.1996.

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