On the bonding of La+ and La2+ to C2H2, C2H4, and C3H6
β Scribed by Marzio Rosi; Charles W. Bauschlicher Jr.
- Publisher
- Elsevier Science
- Year
- 1990
- Tongue
- English
- Weight
- 556 KB
- Volume
- 166
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
New high-level quantum chemical calculations have been undertaken to understand the rates and mechanisms of the reactive and associative channels for the reactants C2H2(+) + H2. The reactive channel, which produces C2H3(+) + H, has been shown to be slightly endothermic, confirming earlier calculatio
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 association reactions Ag+(C2H4).\_, +C2H,=Ag+ (C,H,),(n= 1 or 2) were studied using high pressure mass spectrometty (HPMS). Theenthalpyand entropychangesdeterminedare -AH"=32.4 kcal/mol, and -A5"=30.2 cal/molKfor then=2 reaction. In the case of the n= I reaction, the Gibbs free energy change at