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Conformational Analysis Using Carbon-13-Carbon-13 and Carbon-13-Hydrogen Spin-Spin Coupling Constants

This study consists of four major areas of research. First, the relationship between and was extended to Lrl nil homoallylic couplings and was used to determine the relative degree of puckering in a series of dihydroaromatic carboxylic acids. Second, the effect of coupling contributions transmitted through space were examined by theoretical calculations of the intermediate neglect of differential overlap finite perturbation theory type (INDO-FPT) including selective overlap reduction experiments to determine the sign and magnitude of the major through-space contributions and the effect of the orientation of the substituent upon the vicinal carbon3 carbon coupling. Third, the dependence of the J upon substituent orientation in norbornanes was empirically investigated by the synthesis of a series of lactones and cyclic ethers whose conformation was rigid and known. Fourth, a large number of norbornanes substituted with methyls in the 1, 3, and 7 position and a carbon-13 labeled substituent in the 2 position were synthesized and studied in order to obtain a variety of vicinal C-C couplings; all the NMR parameters for this series of compounds were determined while the carbon13 labeled substituent was varied from methyl to methylene to carbinol to aldehyde and to carboxylic acid.

Identiferoai:union.ndltd.org:unt.edu/info:ark/67531/metadc332040
Date05 1900
CreatorsMcDaniel, Cato R., Jr.
ContributorsMarshall, James L., 1940-, Schwartz, Martin, Dobson, Gerard R., Beller, Nicholas R.
PublisherNorth Texas State University
Source SetsUniversity of North Texas
LanguageEnglish
Detected LanguageEnglish
TypeThesis or Dissertation
Formatvii, 145 leaves : ill., Text
RightsPublic, McDaniel, Cato R., Copyright, Copyright is held by the author, unless otherwise noted. All rights reserved.

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