The energetic effects of the conformational rearrangement of eight Schiff bases, differently chloro-substituted, are discussed on the basis of the results of B3LYP/6-31+G(d,p) calculations. The proton transfer tautomers as well as ''open''-non-hydrogen-bonded forms were considered. It was found, tha
Determination of the energy of intra- molecular hydrogen bond in ortho- substituted N-phenyl-O-methylurethanes
β Scribed by E. P. Trub
- Publisher
- Springer US
- Year
- 1983
- Tongue
- English
- Weight
- 408 KB
- Volume
- 38
- Category
- Article
- ISSN
- 0021-9037
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
Ab initio 3CF and SCP Cl caJcuJatjons ~4th Zhe STO-3C basis set have been pcrformcd in this study of the effect of jntramolccubr hydrogen bonding on n orbital cncrgjcs and n -r I?\* transition encrgiw in ,&hydroxyacrofcin. In the hydrogen bonded C, form, the n orbital is stabWed and the n -+ s\* tnn
The results of various 15 N solid-state NMR experiments perin the molecular principal axis system (PAS) is necessary formed on solid samples of doubly 15 N-labeled 3,5-dimethylpyrafor the analysis of several solid-state NMR experiments, e.g., zole, 5-methyl-3-phenylpyrazole, (PMP), and 3,5-diphenylp
## Abstract The substituent effect on the reactivity of the Cο£ΏN bond of molecular ions of 4βsubstituted __N__β(2βfurylmethyl)anilines toward two dissociation pathways was studied. With this aim, six of these compounds were analyzed by mass spectrometry using electron ionization with energies betwee