✦ LIBER ✦

Gradient line reaction path of HF addition to ethylene

✍ Scribed by Ruslan M. Minyaev; David J. Wales

Publisher: Elsevier Science
Year: 1994
Tongue: English
Weight: 658 KB
Volume: 218
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(94)00018-2

No coin nor oath required. For personal study only.

✦ Synopsis

The gradient line reaction path of the HF addition to ethylene is shown to consist of two distinct gradient lines. The first connects the reactant minimum via one transition state to another transition state. The second is associated with the internal rotation about the carbon-carbon bond in ethyl fluoride and this gradient line also passes through the second transition state. The main feature of this reaction path is that the first gradient line is not connected to the product minima directly.

📜 SIMILAR VOLUMES

Ab initio scf molecular orbital calculat

Ab initio scf molecular orbital calculations on the doublet reaction path of methylidyne addition to ethylene

✍ R.K. Gosavi; O.P. Strausz; H.E. Gunning 📂 Article 📅 1980 🏛 Elsevier Science 🌐 English ⚖ 401 KB

4b~~oorb~~calcuLuonsonrhe~dlUonof~ound(?-~)stnreCHto~oundsrateC=H~ hasebeen cz.?edaufwzLhm the unrestricted Hartree-Fock framework (m&m al STO4G basis set) 4nalysls of the potential energy hypersurfxes shows that the as) mmetnc reaction path has no actwatlon energy while the symmetnc, least motion a

Quantum-chemical study of electrophilic

Quantum-chemical study of electrophilic addition reaction of iodine to ethylene

✍ Jin Suqian (S. Q. Jin); Liu Ruozhuang (R. Z. Liu) 📂 Article 📅 1984 🏛 John Wiley and Sons 🌐 English ⚖ 323 KB

## Abstract The relative stability of and barrier to interconversion of the two possible intermediates in the electrophilic addition of iodine to ethylene have been studied by means of __ab initio__ molecular calculations with pseudopotential approximations. The geometries of the 2‐iodoethyl and et

Theoretical study of the addition of hyd

Theoretical study of the addition of hydrogen halides to olefins: A comparison between (HCl)2 and (HF)2 additions to ethylene

✍ Carmen Clavero; Miquel Duran; Agustí Lledós; Oscar N. Ventura; Juan Bertrán 📂 Article 📅 1987 🏛 John Wiley and Sons 🌐 English ⚖ 751 KB

The addition of HCl and (HC1)2 to ethylene is theoretically studied by means of a b initio SCF techniques using the 3-21G basis set. A statistical thermodynamics analysis is also carried out. When a comparison is made with the HF and (HF)2 additions to ethylene, the general fact of the catalytic act

Kinetics of gas-phase addition reactions

Kinetics of gas-phase addition reactions of methyl radicals. I. Addition to ethylene, acetylene, and benzene

✍ Pauline M. Holt; J. Alistair Kerr 📂 Article 📅 1977 🏛 John Wiley and Sons 🌐 English ⚖ 643 KB

The reactions have been studied by a mass-balance method involving the photolysis of small amounts of biacetyl in the presence of a large excess of isobutane containing a small proportion of the unsaturated substrate. The following Arrhenius parameters have been derived: Temperature Reaction E log A

ChemInform Abstract: Addition Reaction o

ChemInform Abstract: Addition Reaction of Cyclic Ethers to 1,1-Ethylene-1H-azulenium Ion.

✍ Mitsunori Oda; Takuya Uchiyama; Takanori Kajioka; Tomomi Hashimoto; Ryuta Miyata 📂 Article 📅 2001 🏛 John Wiley and Sons ⚖ 27 KB 👁 2 views

Ene reactions of olefins, part II. The a

Ene reactions of olefins, part II. The addition of ethylene to propylene and to isobutene and the addition of propylene to propylene

✍ C. Richard; M. H. Back 📂 Article 📅 1978 🏛 John Wiley and Sons 🌐 English ⚖ 651 KB

## Abstract The pyrolysis of ethylene–propylene and ethylene–isobutene mixtures has been studied in a static system over the temperature range of 682°–754° K and for initial pressures of each olefin of 33–300 torr. The following molecular ene reactions were observed and the rate constants measured: