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The structural dependence of 13C, 13C coupling constants in cyclopropanes

✍ Scribed by Michael Stöcker

Publisher
John Wiley and Sons
Year
1982
Tongue
English
Weight
418 KB
Volume
20
Category
Article
ISSN
0749-1581

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✦ Synopsis

Abstract

The smallest one‐bond carbon—carbon coupling constants of cyclopropane derivatives have been measured for [1‐^13^C]cyclopropane‐1,1‐dicarboxylic acid and cyclopropanecarboxylic acid. The ^13^C, ^13^C coupling constants of cyclopropylcarbinol have also been determined. The dependence of ^1^J(CC) of the three‐membered ring on different substituents and hybridization effects is evaluated. The carbon—carbon coupling constant of the unsubstituted cyclopropane is discussed on the basis of self‐consistent perturbation theory (SCPT) and s character calculations (localized bond orbitals), and the results are compared with the experimental finding. It is shown that the ^1^J (CC) can be interpreted by assuming a dual‐pathway coupling mechanism.

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