AM1 electron density and NMR spectral studies of carotenoids with a strong terminal electron acceptor
- 1 January 1993
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Perkin Transactions 2
- No. 4,p. 659-663
- https://doi.org/10.1039/p29930000659
Abstract
NMR spectral analyses of 7′,7′-dicyano-7′-apo-β-carotene (1), which was synthesized to assess the effect of a terminal strong electron acceptor on the structure of carotenoids and the molecular features which control their photochemical properties, are presented. AM1 Molecular orbital calculated electron density differences for 1 and 8′-apo-β-caroten-8′-al (2) have been found to correlate with the differences in 13C NMR chemical shifts using β-carotene (3) as a reference.Keywords
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