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Unperturbed NO2 Stretching Frequencies in the Vibrational Spectra of 1,4-Dinitrobenzene

Volume 46, Number 8 (Aug. 1992) Page 1304-1306

Andreev, George N.; Juchnovski, Ivan N.

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 [vas(NO2)] of 1,4-dinitrobenzene has the highest frequency among all studied nitrobenzenes, whereas the symmetric stretching mode [vs(NO2)] is one of the lowest. The vas(NO2) frequency was assumed to be regular, and no attention was paid to its particularly high value. The vs(NO2) 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 vs(NO2) of 1,4-dinitrobenzene.