Ion-neutral complexes formation and 1,3-proton transfer in the chemical ionization of alkylcyclohexyl benzoates.
CI, CID, labelling experiments and DFT calculations are used for the elucidation of the mechanism for the decomposition of cyclohexyl benzoates, which proceeds through 1,3-H shift and two equilibrating ion-neutral complexes.
Denekamp
Chagit
C
Department of Chemistry, Institute of Catalysis Science and Technology, Lise-Meitner-Minerva Center for Computational Quantum Chemistry, Technion-Israel Institute of Technology, Haifa 32000, Israel. chchagit@tx.technion.ac.il
Stanger
Amnon
A