In:
Canadian Journal of Chemistry, Canadian Science Publishing, Vol. 54, No. 2 ( 1976-01-15), p. 297-302
Abstract:
We have calculated the total electron density q t 0 at the oxygen atom, to the CNDO II approximation, for twenty-five compounds of the type [Formula: see text] where X = NO 2 , Cl, H, CH 3 , OMe, and [Formula: see text] and [Formula: see text] A linear variation of pK as a function of q t 0 is shown by a set of four essentially parallel lines; the separation of the lines could be attributed to variations in the solvent effect which depend on the nature of R. A more general treatment of all the results, using a single equation ΔpK = 154Δq t 0 + 0.1, allows an evaluation of the effect of structure on the basicity of a carbonyl compound whatever might be the nature of X or R. [Journal translation]
Type of Medium:
Online Resource
ISSN:
0008-4042
,
1480-3291
Language:
English
Publisher:
Canadian Science Publishing
Publication Date:
1976
detail.hit.zdb_id:
1482256-8
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