Abstract
Abstract To investigate the effects of possible intermolecular interaction for methyl alcohol in neat liquid, we have measured the 13 C NMR chemical shift of the methyl carbon in 13 C enriched methyl alcohol as a function of pressure up to 500 Kg/cm 2 . The 13 C signal is found to move significantly to high frequency with increasing pressure. This experimental result is reasonably explained by means of sum-over-states INDO and FPT INDO MO theories of nuclear shielding incorporating a modified solvaton theory. From the observed and calculated results the major effect of increasing pressure is predicted to be a decrease in intermolecular distance.
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