Abstract

When the solute/solvent interaction was studied in a series of organic compounds containing the nitro group, infrared (IR) spectra showed that the nitro antisymmetric stretching mode [<i>v</i><sub>as</sub>(NO<sub>2</sub>)] of 1,4-dinitrobenzene has the highest frequency among all studied nitrobenzenes, whereas the symmetric stretching mode [<i>v</i><sub>s</sub>(NO<sub>2</sub>)] is one of the lowest. The <i>v</i><sub>as</sub>(NO<sub>2</sub>) frequency was assumed to be regular, and no attention was paid to its particularly high value. The <i>v</i><sub>s</sub>(NO<sub>2</sub>) band frequency of 1,4-dinitrobenzene appears at a lower frequency than the "expected" value. An attempt has been made to explain this deviation in terms of the Ph-N bond participation in the vibration <i>v</i><sub>s</sub>(NO<sub>2</sub>) of 1,4-dinitrobenzene.

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