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Shock Wave Study of the Thermal Dissociations of C3F6 and c-C3F6. II. Dissociation of Hexafluorocyclopropane and Dimerization of CF2
(American Chemical Society, 2014-06)
The thermal dissociation of c-C3F6 has been studied in shock waves over the range 620–1030 K monitoring the UV absorption of CF2. The reaction was studied close to its high-pressure limit, but some high-temperature falloff ...
Shock Wave Study of the Thermal Dissociations of C3F6 and c-C3F6. I. Dissociation of Hexafluoropropene
(American Chemical Society, 2014-06)
The thermal dissociation of C3F6 was studied between 1330 and 2210 K in shock waves monitoring the UV absorption of CF2. CF2 yields of about 2.6 per parent C3F6 were obtained at reactant concentrations of 500-1000 ppm in ...
Infrared multiphoton dissociation of SiF4: Gas phase reactions of SiF3 with F and H2
(Elsevier Science Sa, 2004-07)
The infrared multiphoton dissociation (IRMPD) of pure SiF4 and in mixtures with different gases was studied using a tunable CO2 TEA laser. The initial dissociation step of the IRMPD of SiF4 was found to be the decomposition ...
Hydrogen bonding and dissociation effects on the gas phase proton transfer reactions of ozone
(Springer New York LLC, 1998)
© Springer-Verlag 1998. Recently, the proton affinity (PA) of ozone was experimentally determined by Cacace and Speranza [Science (1994) 265: 208] using a bracketing technique that involved the proton transfer (PT) reactions: ...
A Notewothy Feature of Bond Dissociation/Formation Reactions
(2007)
The reaction force F(Rc) of a process is the negative derivative of the potential energy V(Rc) of the system with respect to the intrinsic reaction coordinate Rc. For the dissociation of a bond, F(Rc) has a negative minimum ...
Oxygen assisted H2O dissociation on the Pt{110}(1 × 2) surface from first principles
(Elsevier Science, 2014-04)
Water dissociation with and without oxygen coadsorption is investigated on the Pt{110}(1 × 2) surface at low coverage from first principles. Calculations indicate that desorption of the water molecule is likely to occur ...
Desolvation effects on the dissociation energy of diatomic molecules:Ab initio study of the dissociation of Li-F in polar media
(Springer-Verlag, 1993)
The potential curve of the ground state dissociation of Li-F in water has been studied by a combination of a standard ab initio Hartree-Fock procedure and a perturbative reaction field approach. The electrostatic solute-solvent ...
Direct versus hydrogen-assisted dissociation of CO on iron surfaces: Kinetic Monte Carlo and microkinetic modeling
(Elsevier Science, 2020-02)
Microkinetic modelling in conjunction with Kinetic Monte Carlo (KMC) simulations were employed to study the direct versus hydrogen-assisted dissociation of CO on iron surfaces. For the activation barriers of the reactions, ...