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
Theoretical study of the addition of hydrogen halides to olefins: reaction of dimeric hydrogen fluoride with ethylene
β Scribed by Clavero, Carmen.; Duran, Miquel.; Lledos, Agusti.; Ventura, Oscar N.; Bertran, Juan.
- Book ID
- 126933383
- Publisher
- American Chemical Society
- Year
- 1986
- Tongue
- English
- Weight
- 774 KB
- Volume
- 108
- Category
- Article
- ISSN
- 0002-7863
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π SIMILAR VOLUMES
The title reactions have been investigated in a fast flow system at pressures of about 2 torr and temperatures between 12 and 132Β°C. The following Arrhenius equations are derived for reaction (2) (2) where A e Olefin, R = Alkyl radical loglok2(ethylene) = 10.43 f 0.21 -3,300 f 300/4.5767' loglok2(
A theoretical study of interaction of ethylene with Cuz is considered using SCF/CASSCF/MP2 methods. The calculated dissociation energy is in good agreement with available experimental data. Our studies reveal that the perpendicular approach of Cu2 is more favored than the parallel approach. The stro