95/02125 Graphic representation of the 13C chemical shifts and substructure of hydrocarbons and oxygen-containing compounds for the analysis of chemical structures of coals and the related materials

Calculation of some 13C chemical shifts

Calculation of some 13C chemical shifts for compounds containing cumulative double bonds. The allene, ketenimine and carbodiimide series

✍ C. Collier; G. A. Webb 📂 Article 📅 1979 🏛 John Wiley and Sons 🌐 English ⚖ 219 KB

## Abstract Calculations based on Pople's independent electron model, with CNDO/S and INDO/S parameterizations, are reported for some ketenimines and carbodiimides. The unusually large shielding of the central carbon uncleus is accounted for by means of the various electronic transitions which cont