Aldehyde and ketone adducts of the gaseous trifluoromethyl cation
| Authors |
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| Publication date | 2011 |
| Journal | Organic Letters |
| Volume | Issue number | 13 | 9 |
| Pages (from-to) | 2176-2179 |
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| Abstract | IR spectra of CF3+ adduct ions are reported for the first time using infrared multiple photon dissociation (IRMPD). Carbonyl stretches of ketone conjugate acids shift less than do those of ions containing C═OCF3+ groups. Carbonyl absorptions shift in proportion to the empirical softness of the corresponding neutrals. Anharmonic DFT fits band positions of C═OCF3+ stretches for aliphatic ions, but unscaled harmonic calculations match O−CF3 stretches more closely. Calculated O−CF3 bond orders increase with gas phase CF3+ affinities of the corresponding neutral carbonyl. |
| Document type | Article |
| Language | English |
| Published at |
https://doi.org/10.1021/ol200369m
(Final published version)
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