Solvent-Induced Nitrile Frequency Shifts: Acetonitrile and Benzonitrile

Abstract

The C≡N stretching frequency, vC≡N, is affected by change in the solvent and also by change in concentration in the same solvent. In the case of acetonitrile, vC≡N is in Fermi resonance with the combination tone (δ_sym. CH₃ + vC-C), and the degree of Fermi resonance interaction changes with change in the solvent. With the exception of dimethyl sulfoxide, unperturbed vC≡N for acetonitrile exhibits a pseudo-linear correlation with the acceptor number of the solvent.

Keywords

Infrared Solvent effects Fermi resonance with CN stretching

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