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Tuning intramolecular anharmonic vibrational coupling in 4-nitroaniline by solvent-solute interaction.

The Journal of chemical physics (2007-12-25)
J Dreyer, V Kozich, W Werncke
RÉSUMÉ

Applying a combined experimental and theoretical approach we demonstrate that doublets of the nu(s)(NO(2)) band of 4-nitroaniline which have been observed in several environments originate from Fermi resonances. Changes of the line shapes typical for Fermi resonances are reported also for other isotopomers of 4-nitroaniline, however, for each of them in different solvents and solvent mixtures. Simulations of the infrared spectra based on the solvatochromic frequency shifts of the nu(s)(NO(2)) vibration determined experimentally together with calculated cubic couplings with overtones and combination bands account for the experimental findings.

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Sigma-Aldrich
4-nitroaniline, ≥99%
Pour en savoir plus sur le produit 185310, veuillez contacter la filiale Merck locale ou un distributeur. Contacter notre Service technique
Supelco
4-nitroaniline, analytical standard
Pour en savoir plus sur le produit 31569, veuillez contacter la filiale Merck locale ou un distributeur. Contacter notre Service technique