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THE SIGMA-INDUCTIVE EFFECTS OF C=C AND C-C BONDS - PREDICTABILITY OF NMR SHIFTS AT SP(2) CARBON IN NONCONJUGATED POLYENOIC ACIDS, ESTERS AND GLYCERIDES
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UNSPECIFIED (1995) THE SIGMA-INDUCTIVE EFFECTS OF C=C AND C-C BONDS - PREDICTABILITY OF NMR SHIFTS AT SP(2) CARBON IN NONCONJUGATED POLYENOIC ACIDS, ESTERS AND GLYCERIDES. JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2 (12). pp. 2307-2310. ISSN 0300-9580.
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Abstract
The C-13 NMR shift separations in a wide range of non-conjugated polyenoic acids can be reliably predicted from the sigma-inductive theory developed previously for monoenes, with only one further adjustable parameter, the dipolar effect of one double bond upon another. Further improvements can be made by allowing the enhanced transmission of charge by an intervening double bond. Shifts in poly-ynes are also predicted, though in this case both the dipolar effect and the transmission gain approximately double. The theory also semi-quantitatively explains the small differences in carbonyl shift, used in the quantitative analysis of glycerides.
Item Type: | Journal Article | ||||
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Subjects: | Q Science > QD Chemistry | ||||
Journal or Publication Title: | JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2 | ||||
Publisher: | ROYAL SOC CHEMISTRY | ||||
ISSN: | 0300-9580 | ||||
Official Date: | December 1995 | ||||
Dates: |
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Number: | 12 | ||||
Number of Pages: | 4 | ||||
Page Range: | pp. 2307-2310 | ||||
Publication Status: | Published |
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