Vicinal elimination from 2-fluoroisopropyl cation in the gas phase

Structure and Reactivity of Protonated α,α,α-Trifluorotoluene in the Gas Phase. A Combined FT-ICR, Radiolytic, and ab Initio MO Study

“…At the other extreme, the weakest BH + acids yielding exclusively C 6 H 5 CF 2 + are suggested to do so by the intermediacy of a F-protonated species, an ion population henceforth designated as C 6 H 5 CF 2 FH + . The F-protonated isomer is in fact expected to have the features of a [C 6 H 5 CF 2 + ·FH] ion−dipole complex. , The loss of HF, whereas unfavorable on enthalpy grounds by the HF binding energy, is associated with an entropic gain. The balance of the two factors clearly emerges from the fact that the inefficient reactions of the weakest BH + acids yield exclusively C 6 H 5 CF 2 + , with no trace of C 6 H 5 CF 2 FH + being formed.…”

The Cationic CF+ Stretching Vibration in the Gas Phase

“…Its dissociation to CD 3 C = CD 2 + via DF loss has ample precedent in the metastable ion decompositions of 5. [12] Figure 1 compares the resonant IRMPD spectrum of 5 in the 800-1800 cm À1 domain (b) with the spectrum predicted by density functional theory (DFT) at B3LYP/6-31G** using anharmonic corrections and harmonic relative intensities [13] (c), and also with the gas phase IR absorption spectrum of [D 6 ]acetone (a).…”

Dimerization of metalloporphyrin .pi.-cation radicals. Zinc complex [Zn(OEP.bul.)(OH2)]2(ClO4)2, a novel dimer

“…We note that such aquo ligation is likely to be especially troublesome in dilute solution or low-temperature experiments. (6) [Zn(0EP')(0H2)]C104 crystallizes as the 1,2-dichloroethane solvate in the orthorhombic system, ZnCl304N4C38H48, space group Fddd, a = 29.126…”