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Label | Value |
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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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