We present a theoretical study of the convergence of the C-H bond dissociation energy (Do) of acetylene with respect to both the one-and n-particle spaces. Our best estimate for Do of 130.1 f 1.0 kcal/mol is slightly below previous theoretical estimates, but substantially above the value determined
โฆ LIBER โฆ
Theoretical investigation of the dissociation energy of bonds in urethanes and amides
โ Scribed by I. B. Dorofeeva; V. A. Kosobutskii; O. G. Tarakanov
- Publisher
- SP MAIK Nauka/Interperiodica
- Year
- 1983
- Tongue
- English
- Weight
- 350 KB
- Volume
- 23
- Category
- Article
- ISSN
- 0022-4766
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The acidities of the two different sites in naphthalene (1alpha and 1beta) and the electron affinities of the alpha- and beta-naphthyl radicals were measured using a Fourier transform mass spectrometer. Both carbon-hydrogen bond dissociation energies for naphthalene also were obtained, in this case