Aldehyde and ketone adducts of the gaseous trifluoromethyl cation.
作者： Jos Oomens , Thomas Hellman Morton
DOI: 10.1021/OL200369M
关键词:
摘要: IR spectra of CF3+ adduct ions are reported for the first time using infrared multiple photon dissociation (IRMPD). Carbonyl stretches ketone conjugate acids shift less than do those containing C═OCF3+ groups. absorptions in proportion to empirical softness corresponding neutrals. Anharmonic DFT fits band positions aliphatic ions, but unscaled harmonic calculations match O−CF3 more closely. Calculated bond orders increase with gas phase affinities neutral carbonyl.
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