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Solvent-Induced Nitrile Frequency Shifts: Acetonitrile and Benzonitrile

Volume 44, Number 8 (Oct. 1990) Page 1405-1407

Nyquist, R.A.


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 (δsym. 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.