Abstract

The difference between 1 Jcc(Z) and 1 Jcc (E) for acetoxime is experimentally and theoretically studied as a nitrogen lone-pair orientational effect. Experimentally, it is observed that this difference almost disappears upon full protonation. Theoretically, the most recent version of the IPPP program is used, finding that the N lone pair contributes to the couplings a positive component for 1 J cc(Z) and a negative one for 1 J cc(E), which are found to be the main cause of this difference.

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