Theoretical and experimental study of tropylium formation from substituted benzylpyridinium species

EL Zins, C Pepe, D Rondeau, S Rochut…

Index: Zins, Emilie-Laure; Pepe, Claude; Rondeau, David; Rochut, Sophie; Galland, Nicolas; Tabet, Jean-Claude Journal of Mass Spectrometry, 2009 , vol. 44, # 1 p. 12 - 17

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Citation Number: 32

Abstract

Abstract Fragmentation pathways of unsubstituted and substituted benzylpyridinium compounds were investigated using mass-analysed kinetic energy (MIKE) technique in combination with high level of quantum chemical calculations in the gas phase. Fast atom bombardment (FAB) source was used for ionisation of the studied compounds. The formation of both benzylium and tropylium species were investigated. Hybrid Hartree-Fock ...