𝔖 Bobbio Scriptorium
✦   LIBER   ✦

On the tautomerization reaction 2-pyridone ⇌ 2-hydroxypyridine: an ab initio study

✍ Scribed by Miquel Moreno; William H. Miller

Book ID
107734753
Publisher
Elsevier Science
Year
1990
Tongue
English
Weight
409 KB
Volume
171
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Matrix-isolation FT-IR study on the prot
Matrix-isolation FT-IR study on the protomeric tautomerism 2-hydroxypyridine⇌2-pyridone
✍ J. Smets; G. Maes 📂 Article 📅 1991 🏛 Elsevier Science 🌐 English ⚖ 393 KB

The vibrational spectrum of 2-hydroxypyridine isolated in an AI matrix was studied using FT-IR spectroscopy. From expcrimental intensities of different pairs of bands assigned to the 2-0x0-(P,) and the 2-hydroxy-(HP\*) tautomer respectively, a tautomerization constant of0.40 + 0.10 was calculated at

On the mechanism of proton transfer in t
On the mechanism of proton transfer in the 2-hydroxypyridine α 2-pyridone tautomeric equilibrium
✍ Martin J. Scanlan; Ian H. Hillier 📂 Article 📅 1984 🏛 Elsevier Science 🌐 English ⚖ 234 KB

The saddle point for the proton transfer invohred in the equilibrium 2-hydroxypyridine = 2-pyridone has been calculated in it 3-21G basis to be 206 kJ mol-\* above the hctim form, for a unimo!ecular mechanism. This barrier is estimated to be rc-du=d to 46 kJ mol-l in the self-associated dimer.