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The conformational dependence of the hyperfine couplings of γ protons in π radicals

✍ Scribed by A Toro-Labbe; J Maruani


Publisher
Elsevier Science
Year
1985
Weight
546 KB
Volume
61
Category
Article
ISSN
0022-2364

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Angular dependence of the β-proton hyper
✍ Maurizio Guerra 📂 Article 📅 1987 🏛 Elsevier Science 🌐 English ⚖ 584 KB

The p-proton hypertine coupling constants in S-substituted ethyl radicals CH2-CH2-X (X=CHJ, NH2, OH, F, SiH9, PH2, SH, Cl) were computed as a function of the rotational angle (Y about the C.C, bond by ab initio calculations at the UHF/DZ+d level. They follow the relation aHg (0,a) =A+ B cos\*O + Cco