Bimolecular reaction dynamics of Co+(3F4) + acetone reaction in real time

IR spectroscopic characterization of intermediates in a gas-phase ionic reaction: The decarbonylation of Co+(acetophenone)

“…It is seen from the figure that predicted spectra of both of these are unacceptable, particularly in the 700-900 cm −1 region. The other bond-inserted possibility, Co + (methyl)(phenyl) (9), was calculated to be even less stable than Co + (benzyl)(H), and also to have a spectrum (not shown) very unlike the experimental one. Fig.…”

“…For instance, Rh (in Wilkinson's catalyst) promotes selective decarbonylation of aldehydes [1,2] and ketones [3,4] in solution. Loss of carbonyl from energized gas-phase ketone complexes of Co + and Ni + has been studied many times as a low-energy decomposition pathway [5][6][7][8][9][10]. Some of the earliest gas-phase characterization of transition metal organometallic chemistry in the well controlled conditions of the FT-ICR ion trap was the study by Halle et al [6] of the fragmentation chemistry of Co + /ketone complexes, in which the oxidative metal insertion into C C bonds of the ketone was used as the basis for interpreting the observed fragmentation chemistry.…”

Reaction pathways of Sc+ (3D, 1D) and Fe+ (6D, 4F) with acetone in the gas phase: metal ion oxidation and acetone deethanization

“…They justified the choice of a rate‐limiting C–C σ‐bond activation step through comparison with similar systems (primarily M + − propane). Later, Weisshaar and co‐workers studied the Co + + acetone reaction by a crossed‐beam experiment and concurred that C–C bond activation constituted the rate‐limiting step . We have carried out theoretical studies on the potential‐energy surface (PES) of the reaction Ni + ( 2 D, 3d 9 ) + acetone by the DFT method .…”

“…Later, Weisshaar and co-workers studied the Co + + acetone reaction by a crossed-beam experiment and concurred that C-C bond activation constituted the rate-limiting step. [26] We have carried out theoretical studies on the potential-energy surface (PES) of the reaction Ni + ( 2 D, 3d 9 ) + acetone by the DFT method. [27] Our results were at variance with the KERDs determined by Bowers' group.…”

Imaging the dynamics of ion–molecule reactions

“…The reactivity of hydrocarbons in reactions with transition metal ions has already been investigated for several decades. [98][99][100] The group of James Weisshaar extended their experiments with crossed beams [101][102][103][104][105] to investigate the reaction of the cobalt cation with small saturated hydrocarbon molecules using velocity map imaging: 30,106 Co…”