## Abstract In order to perform the analysis of the components contained in fossil fuels, carbon assignments of new methylated derivatives of tetralin and indan were obtained. Their chemical shifts were calculated by applying additivity rules.
Characterization of methyl derivatives of cyclopentadiene monomer and dimer by 13C NMR spectroscopy
✍ Scribed by T. Laurens; D. Nicole; P. Rubini; J. C. Lauer; M. Matlengiewicz; N. Henzel
- Publisher
- John Wiley and Sons
- Year
- 1991
- Tongue
- English
- Weight
- 750 KB
- Volume
- 29
- Category
- Article
- ISSN
- 0749-1581
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✦ Synopsis
Abstract
The assignment of the carbons of different isomers of methylcyclopentadiene monomers (Me‐CPD) and dimers (diMe‐DCPD) has been performed directly in a mixture, without previous separation of these products, by analysing data from quantitative ^13^C NMR spectra of the mixtures and applying a J‐modulated spin–echo sequence. Semi‐empirical rules for the influence of methyl groups on the chemical shifts of carbons in pentenic and norbornyl ring systems have been formulated and utilized to assign the absorptions. The same method can then be applied to the carbon assignments in cyclopentadiene–methylcyclopentadiene codimers (Me‐CPD), and it is possible to develop additivity rules and predict chemical shifts for diMe‐DCPD based on the chemical shifts for the carbons of these codimers.
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