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Theoretical Study on the Stability of Formylphenol and Formylaniline Compounds and Corresponding Radicals: O−H or N−H vs C−H Bond Dissociation

✍ Scribed by Gomes, José R. B.


Book ID
121492997
Publisher
American Chemical Society
Year
2009
Tongue
English
Weight
594 KB
Volume
113
Category
Article
ISSN
1089-5639

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Theoretical study of the CH bond dissoc
✍ Charles W. Bauschlicher Jr.; Stephen R. Langhoff 📂 Article 📅 1991 🏛 Elsevier Science 🌐 English ⚖ 554 KB

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.