Abstract
The magnetic shielding constants of. carbon 13 and hydrogen nuclei of the dimethylphosphate anion are calculated for the gauche-gauche and gauche-trans conformations of the molecule as a function of the rotational angles about the PO and CO bonds. The results obtained show that for the protons the value of the rotational angle about the CO bond is more important than that about the PO bond. For carbon 13 of the two methyl groups of the molecule the gt conformation corresponds to magnetic shielding constants which are shifted downfield with respect to their values for the gg conformation. These results are discussed in relation to the role of the variations of some of the conformational parameters of the ribose phosphate backbone of polynucleotides in the nuclear magnetic resonance spectra of this type of molecule.
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