Conformational analysis of benzenediols: pyrocatechol, resorcinol and hydroquinone
โ Scribed by S.A. Kudchadker; B.J. Zwolinski
- Publisher
- Elsevier Science
- Year
- 1978
- Tongue
- English
- Weight
- 500 KB
- Volume
- 48
- Category
- Article
- ISSN
- 0022-2860
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๐ SIMILAR VOLUMES
In connection with the study of the oxidation transformations of dihydric phenols in alkaline medium that followed our previous work when one of us had prepared 2,5-dihydroxy-1,4\_benzoquinone (I) from pyrocatechol (1) and, under the same conditions, 2-hydroxy-5-t-octyl-1,4-benzoquinone (IIc,
The various protonated forms of phenol (1), catechol (2), resorcinol (3), and hydroquinone (4) were explored by ab initio quantum chemical calculations at the MP2/6-31G(d) and B3LYP/6-31G(d) levels. Proton affinities (PA) of 1-4 were calculated by the combined G2(MP2,SVP) method, and their gas-phase