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The combined effects of two chlorine substituents and the non-additivities of chemical shifts in aliphatic dichloro esters

✍ Scribed by Maija Pitkänen

Publisher
John Wiley and Sons
Year
1982
Tongue
English
Weight
578 KB
Volume
18
Category
Article
ISSN
0749-1581

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✦ Synopsis

Abstract

Carbon‐13 NMR spectra were measured for 25 methyl esters of aliphatic dichlorocarboxylic acids for substituted propanoic to hexanoic acids. Observed ^13^C shifts are compared with calculated shift values obtained from the shifts of the corresponding monochloro esters by applying a simple sum method. The greatest failures from additivity are observed for αβ and αα substituted carbons. The combined effects of two chlorine substituents were determined, and compared with those obtained from chlorine substituent effects in monochloro esters by assuming additivity. The trends displayed by the combined effects, and also by the non‐additivity effects, are discussed.

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