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THE BEHAVIOR OF ALLYL DERIVATIVES OF CATECHOL AND RESORCINOL TOWARD HEAT

✍ Scribed by Hurd, Charles D.; Greengard, Harry; Pilgrim, Forrest D.

Book ID
120213706
Publisher
American Chemical Society
Year
1930
Tongue
English
Weight
424 KB
Volume
52
Category
Article
ISSN
0002-7863

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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