@article{7474, author = {J. Oomens and T. H. Morton}, title = {Aldehyde and Ketone Adducts of the Gaseous Trifluoromethyl Cation}, 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 = {2011}, journal = {Organic Letters}, volume = {13}, number = {9}, pages = {2176-2179}, month = {May}, isbn = {1523-7060}, url = {DOI: 10.1021/ol200369m }, note = {ISI Document Delivery No.: 755SMTimes Cited: 0Cited Reference Count: 34}, language = {English}, }