β−-Decay effect on the proton movement in the pyridine–pyrrole hydrogen-bonded system
✍ Scribed by Shigeru Ikuta; Shuichi Hashimoto; Masashi Imamura
- Book ID
- 104580003
- Publisher
- John Wiley and Sons
- Year
- 1980
- Tongue
- English
- Weight
- 238 KB
- Volume
- 18
- Category
- Article
- ISSN
- 0020-7608
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✦ Synopsis
Abstract
The potential‐energy curves for the movement of proton along the hydrogen‐bond direction were calculated for the parent and cations produced from the β^−^ decay of pyridine‐pyrrole labeled by tritium (^3^H) or carbon‐14(^14^C). For all cations the double minimum potential is predicted to be formed, and the activation energy for the proton transfer from one well to the other is about 10.0 kcal/mol, which is much lower than that in the (NH~2~HNH~2~)^+^ ion. A positional effect of nuclear transformation is scarcely expected in ^3^H β^−^ decay, whereas a slight positional effect may be expected in ^14^C β^−^ decay.
📜 SIMILAR VOLUMES
The intermolecular hydrogen bond and proton transfer of the system, acetic acid -pyridine was investigated by means of the semi-empirical PCILO (Perturbative Configuration Interaction using Localised Orbitals) method. A potential curve with a single minimum was found in the 1:l complex of acetic ac