Conformational Change of Diethylene Glycol Diethyl Ether Due to Cation- Capture and Water-Accommodation

Abstract Raman spectra of diethylene glycol diethyl ether were measured in the liquid and solid states, and stable comformers identified from the solvent effect on the various bands and by normal vibration calculations. Remarkable spectral changes caused by interaction of the substance with cations and water were observed. Molecular mechanics calculation for diethylene glycol diethyl ether—water systems provided an optimized structure which explains some of these spectral changes. Structural differences were also found among the various cation complexes of diethylene glycol diethyl ether.