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Conformations in solution of four 2,4,5,7-tetramethyloctane-4,5-dicarboxylates: Molecular mechanics and NMR studies

✍ Scribed by Kelvyn A. Holland; Ian D. Rae; Josephine A. Weigold

Publisher: John Wiley and Sons
Year: 1991
Tongue: English
Weight: 365 KB
Volume: 29
Category: Article
ISSN: 0749-1581
DOI: 10.1002/mrc.1260290202

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✦ Synopsis

Potential energy calculations (MM2), low-temperature 'H and I3C NMR spectra and 'H-'H COSY spectra are reported for four octane derivatives, the central portions of which constitute tetrasubstituted succinates. The existence of several conformers differing in stereochemistry in this central moiety is predicted by calculations and observed in low-temperature NMR. The periphery of each molecule is in an extended configuration, as shown by the existence of long-range (W-plan) couplings involving the methyl groups.

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