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An additivity relation for carbon-13 chemical shifts in substituted allenes

✍ Scribed by R. H. A. M. Janssen; R. J. J. Ch. Lousberg; M. J. A. de Bie

Book ID
104588304
Publisher
Elsevier Science
Year
2010
Tongue
English
Weight
757 KB
Volume
100
Category
Article
ISSN
0165-0513

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✦ Synopsis

Abstract

An empirical method for the calculation of the carbon chemical shifts of allene carbons is developed. The method is successful in predicting the chemical shifts in a wide variety of substituted allenes.

The effect of the electronegativity of substituents, with respect to the chemical shift contributions, is discussed.

Experimental chemical shift increment values show a linear correlation with both the calculated diamagnetic shielding effects and the Pauling electronegativities for first row elements of the periodic system directly attached to the allene.

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Additivity scheme for 13C NMR chemical s
Additivity scheme for 13C NMR chemical shifts in triangulanes
✍ Kirill A. Lukin; Sergei I. Kozhushkov; Nikolai S. Zefirov πŸ“‚ Article πŸ“… 1991 πŸ› John Wiley and Sons 🌐 English βš– 236 KB

## Abstract The ^13^C NMR spectra of triangulanes, the unique class of hydrocarbons constructed from spiroannulated cyclopropanes, were analysed, and correlations were revealed between their structures and ^13^C chemical shifts. The procedure for the configurational assignment in triangulanes based