Conformational analysis of 2-halocyclopentanones by NMR and IR spectroscopies and theoretical calculations.

Abstract

The conformational isomerism of 2-chlorocyclopentanone and 2-bromocyclopentanone has been determined through the solvent dependence of the (1)H NMR (3)J(HH) coupling constants, theoretical calculations and infrared data, using the solvation theory for the treatment of NMR data. In 2-chlorocyclopentanone, the energy difference (E(Psi-e)-E(Psi-a)), in the… (More)
DOI: 10.1016/j.saa.2009.01.002

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