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Aldehyde and Ketone Adducts of the Gaseous Trifluoromethyl Cation

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Author
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.

Year of Publication
2011
Journal
Organic Letters
Volume
13
Number
9
Number of Pages
2176-2179
Date Published
May
Type of Article
Article
ISBN Number
1523-7060
Accession Number
DOI: 10.1021/ol200369m
URL
PId
627ea440165299a386c81d4c9ed5aec7
Alternate Journal
Org. Lett.
Journal Article
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