✍ Scribed by A. A. Cheremisin; P. V. Schastnev
No coin nor oath required. For personal study only.
^13^C chemical shifts and ^13^CH coupling constants for classical and non‐classical structures of some typical carbonium ions have been calculated by the method of summation over excited states in the INDO approximation using a special parameterization. Comparison of the data obtained with the experimental values shows that the calculation of the chemical shifts and spin‐spin coupling constants is superior to energy calculations, and provides a useful means for the study of the structure of carbonium ions.
📜 SIMILAR VOLUMES
## Abstract The vicinal ^3^__J__(CH~3~CCH) coupling constants were determined for a number of propylene derivatives and compared with the ^3^__J__(HCCH) couplings of the corresponding ethylenes. A linear regression analysis yielded the correlation ^3^__J__(CH) = 0.46 ×^3^ __J__(HH)+1.58 Hz, the c
## Abstract The preferred conformations of the methylsulphinyl group in a number of phenyl methyl sulphoxides substituted in the phenyl ring with one, two or three fluorine atoms have been studied by employing a multinuclear NMR approach. From the ^1^H, ^13^C and ^17^O chemical shifts of the methyl