Understanding solute/solvent interactions is of great interest to chemists because the choice of solvent can affect everything from the efficiency of chemical reactions to the observed spectroscopy of the solute. One important parameter of solvents is the acceptor number (AN) which is an empirical measurement of the Lewis acidity of a solvent. It has been shown that the Raman spectra of ethyl 4-dimethylaminobenzoate (EDAB) in various solvents are well correlated with solvent AN. We will present the Raman spectra of several structural analogs of EDAB in different solvents with an eye towards a better understanding of the nature of this solute/solvent interaction. As a further investigation, we will present the Raman spectra of these analogs in different solvents that are calculated using density functional theory (DFT) and solvation environments derived from molecular mechanics simulations.<br/>

Raman spectra of EDAB and Its analogs in various solvents

249th National Meeting (2015)

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