L. Jenneskens, J. Mahy, E. M. M. V. D. Berg
Sep 2, 2010
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Journal
Recueil des Travaux Chimiques des Pays-Bas
Abstract
The synthesis of 2-(trifluoromethyl)piperazine (1) is reported. 1H NMR spectroscopy shows that in the chair-type piperazine ring the CF3 group occupies an equatorial position. X-ray photoelectron spectroscopy of solid 1 reveals that the CF3 group induces a secondary (β) chemical shift of 1.5 eV on the C 1s core binding energy of its nearest neighbour carbon atom. The results are supported by semi-empirical PM3 and HAM/3 calculations.