𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Proton transfer reactions of C2H4+: the bond energy D(C2H3−H)

✍ Scribed by A. Petrank; M. Iraqi; I. Dotan; C. Lifshitz


Publisher
Elsevier Science
Year
1992
Tongue
English
Weight
733 KB
Volume
117
Category
Article
ISSN
0168-1176

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Theoretical study of the CH bond dissoc
✍ Charles W. Bauschlicher Jr.; Stephen R. Langhoff 📂 Article 📅 1991 🏛 Elsevier Science 🌐 English ⚖ 554 KB

The successive C-H bond dissociation energies of CH,, &Hz. C2H4, and H&O (ketene) are determined using large basis sets and a high level of correlation treatment. For CHI, C2H2, and C2H4 the computed values are in excellent agreement with experiment. Using our results we recommend 107.9 +2.0 and 96.

The H2 elimination reactions of Ã2B3g C2
✍ P.D. Lightfoot; C.J. Danby; I. Powis 📂 Article 📅 1983 🏛 Elsevier Science 🌐 English ⚖ 395 KB

Kinetic energy releases from the unimolecular 1~2 CD,) elimirzxtion reactions of energy-selected x 'Bag CzHz <CzDz) I~JW been obtsincd by a photoelectron-photoion coincidence technique\_ The energ\-releases susgest a 1.1 elimination and 3~ compatible xrith the presence of a small reverse activation

Radical hydrogen transfer reactions: ben
✍ John D. Watts; James A. Franz; Rodney J. Bartlett 📂 Article 📅 1996 🏛 Elsevier Science 🌐 English ⚖ 337 KB

High level ab initio calculations using coupled-cluster (CC) methods have been applied to calculate the barrier height of the prototypical hydrocarbon radical hydrogen transfer reaction between C 2 H 4 and C 2 H 5. The barrier at 298 K is estimated to be 27.7-30.7 kcal mol-~. Second-order perturbati