Abstract
The difference between the 1 J C-H values for C-H bonds cis and trans to oxygen lone pairs for methylenedioxybenzene and veratrole was studied experimentally and theoretically. Experimentally, the coupled and decoupled 13C NMR spectra of nine methoxybenzene and methylenedioxybenzene derivatives, some of which were synthesized for this work, were obtained and a consistent empirical trend was found. Theoretically, the CLOPPA method was used and it was found that the oxygen lone pairs have an effect of spatial proximity on the C-H bond cis to the lone pairs, which is found to be the main cause of the difference in the 1 J C-H values.
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