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The KBM Equation for Solvent-Induced Frequency Shifts Revisited

Volume 43, Number 7 (Oct. 1989) Page 1208-1211

Nyquist, R.A.


The KBM equation for determining solvent frequency shifts is generally useless for predicting vC=O frequencies for compounds in various solvent systems. The vC=O frequencies for acetone and tetramethylurea in various solvents do not correlate with dielectric effects (ε) of the solvent. A series of factors most likely determine the extent of solute/solvent-induced vibrational mode frequency shifts.