The problem of the ipso protonation of toluene and its predominantly disubstituted derivatives was considered by the MP2(fc)/6-31G \*\* //HF/6-31G \* ZPE(HF/6-31G \* ) theoretical model. The substituents involved covered a wide range of different donor-acceptor capabilities. It is shown that the cal
✦ LIBER ✦
Theoretical proton affinities of histamine, amthamine and some substituted derivatives
✍ Scribed by A. Hernández-Laguna; Z. Cruz-Rodrı́guez; R. Notario
- Book ID
- 114142971
- Publisher
- Elsevier Science
- Year
- 1998
- Tongue
- English
- Weight
- 236 KB
- Volume
- 433
- Category
- Article
- ISSN
- 0166-1280
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Proton chemical shifts of the following substituted ortho-dimethoxyphenethylamine derivatives: N-2-(2-nitro-4,5-dimethoxyphenyl)ethylphthalimide (1); N-2-(2-nitro-4,5-dimethoxyphenyl)ethylmaleimide (2); 2-nitro-4,5-dimethoxyphenylethylamine (3); N-2-(2bromo-4,5-dimethoxyphenyl)ethylphthalimide (4);