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

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.