Bimolecular ion-molecule collisions in real time: co+(3f4) + n-butane and isobutane reactions

Crossed-Beam Study of Co+(3F4)+Propane: Experiment and Density Functional Theory

“…The J dependence of k diss is opposite that of the elimination rates, that is, k diss increases with increasing J. As CoC 3 H 8 dissociates to Co C 3 H 8 , mass moves away from the center of mass, decreasing the centrifugal barrier at the orbiting transition state compared with the complex 1.…”

“…Very similar mechanisms describe both reactions very well. This allowed us to make educated guesses of the important mechanisms in the Co n-butane and Co isobutane reactions, [8] neither of which has yet been studied by theory. A unified picture of M alkane reactions is thus emerging.…”

C–C versus C–H bond activation of propyne by Y: A DFT study

“…In the past decade, crossed molecular beam (CMBs), kinetic techniques and theoretical calculations have been carried out to study the reactions of transition metal atoms with small hydrocarbons in gas phase [1][2][3][4][5][6][7][8][9][10][11][12][13][14][15][16]. Experimental studies indicate that the reactions of ground state Y( 2 D), Zr( 3 F), Nb( 6 D) and Mo * with hydrocarbons generally yield the C-H insertion products or dehydrogenation products [7][8][9][10], whereas C-C bond activation has only been observed in select cases, such as the reactions of Y with cyclopropane and propene [3,13,15].…”

Imaging ion-molecule reactions: Charge transfer and halide transfer reactions of O+ with CH3Cl, CH3Br, and CH3I

“…Detecting products at variable delay times after extracting products from the collision region allows products of different masses to be imaged. The experimental method is similar to schemes employed in other laboratories [21][22][23][24][25][26].…”