𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Energy disposal in the three-centered elimination of df from 1,1,2-trifluoroethane-1-d1

✍ Scribed by B. E. Holmes; D. W. Setser; G. O. Pritchard

Publisher
John Wiley and Sons
Year
1976
Tongue
English
Weight
1005 KB
Volume
8
Category
Article
ISSN
0538-8066

No coin nor oath required. For personal study only.

✦ Synopsis

Abstract

The chemical activation data for three‐ and four‐centered hydrogen fluoride elimination from CH~2~FCDF~2~ have been analyzed to assign the energy released to the olefin fragment in the three‐centered process and to estimate the threshold energies for elimination channels. Based upon the cis–trans isomerization rates of CHF = CHF, 78% of the total available energy was released to the olefin fragment for the αα channel. The analysis suggests the existence of an appreciable barrier (∼10 kcal/mole) for the reverse reaction, addition of the CH~2~FCF carbene to DF. The threshold energies for αα, αβ, and βα elimination from 1,1,2‐trifluoroethane‐1‐d~1~ were assigned as 71, 68, and 68 kcal/mole, respectively. Analysis of the chemical activation data for 1,1,2,2,‐tetrafluoroethane, without distinguishing between the three‐ and four‐centered elimination channels, suggests a threshold energy of ∼75 kcal/mole.

📜 SIMILAR VOLUMES

The elimination of HF from vibrationally
The elimination of HF from vibrationally excited fluoroethanes. The decomposition of 1,1,1-trifluoroethane-d0 and d3
✍ G. O. Pritchard; M. J. Perona 📂 Article 📅 1970 🏛 John Wiley and Sons 🌐 English ⚖ 836 KB

The vibrationally excited molecules CF,CH,\* and CF,CD,\* have been synthesized by radical combination (produced by ketone photolysis), and HF and DF elimination from them studied as a function of temperature and pressure. Using RRK theory many calculations have recently been made of critical energi

Analysis of the kinetics of the thermal
Analysis of the kinetics of the thermal and chemically activated elimination of HF from 1,1,1-trifluoroethane: the CC bond dissociation energy and the heat of formation of 1,1,1-trifluoroethane
✍ Alan S. Rodgers; W. G. F. Ford 📂 Article 📅 1973 🏛 John Wiley and Sons 🌐 English ⚖ 500 KB

The thermal, unimolecular elimination of HF from CH3CF3 was studied by three different groups over the temperature range 1000" to 1800°K. While the reported kinetic parameters varied greatly, it is shown here that these data may be satisfactorily correlated in terms of a four-center transition state

Primary processes and energy disposal in
Primary processes and energy disposal in the reaction of S(1D) atoms with thiirane
✍ Masafumi Ohashi; Zhen Song; Yutaka Matsumi; Masahiro Kawasaki 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 404 KB

The rotational and vibrational energy distributions of S2(a 1~ and X 3y.~-) generated in the reaction ofS(3p 4, 1D) with thiirane C2H4S are measured, using the laser-induced fluorescence technique. Nascent energy distributions are approximated by Boltzmann distributions with rotational and vibration

Vibrational and rotational energy dispos
Vibrational and rotational energy disposal in the H + D2 reaction at 1.3 eV: Surprisal analysis of experiments and computations
✍ E. Zamir; R.D. Levine; R.B. Bernstein 📂 Article 📅 1984 🏛 Elsevier Science 🌐 English ⚖ 371 KB

Recent independent experimental determinations. by Za.re and Valentini and their co-workers, of the HD product state distribution are consistent with a common set of surprkal parameters: h, = 2 and 0R in the range 3-5. Analysis of rhe computational results of Blais and Trublar su,, ~oests that a som