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 bonding strength of Ag+(C2H4) and Ag+(C2H4)2 complexes
โ Scribed by B.C. Guo; A.W. Castleman Jr.
- Publisher
- Elsevier Science
- Year
- 1991
- Tongue
- English
- Weight
- 462 KB
- Volume
- 181
- Category
- Article
- ISSN
- 0009-2614
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โฆ Synopsis
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 750 K 1s measured to be -AGO= 17.1 kcal/mol. Using the free energy change and the calculated entropy change -AS0=22.1 cal/mol K, we derive an enthalpy change -AH'=33.7 kcal/mol for the n= I reaction. The bonding in both .4g+(C2H,) and Ag*(C2H,)2 complexes IS extremely strong, and much higher than expected based on the simple electrostatic-interaction considerations. The strong bonding suggests that covalent interaction or a two-way donor-acceptor interaction dominates in the complexes.
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