Low Frequency Vibrational Spectra, Barriers to Methyl Rotations and Lattice Modes of Diethylether

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Abstract
The vibrational spectra of gaseous and crystalline CH3CH2OCH2CH3 and CD3CD2OCH2CH3 have been investigated below 500 cm−1. Assignments of the low frequency fundamentals of the trans-trans and trans-gauche conformers are presented. Several torsional series were observed for the methyl groups in the far infrared spectra of the gaseous compounds. These series were analyzed using both coupled and uncoupled top treatments. No potential coupling was found; however, kinetic coupling of the two tops is evident. The low frequency spectra of the two crystalline phases were recorded. That of the stable modification was interpreted in terms of the non-centric space group P212121 ≡ D4 2. In the metastable phase, there are two molecules per unit cell each of which occupy equivalent sites of C2, C2 or C1 symmetry. Several lattice modes have been observed in the Raman spectra of each crystalline phase and tentative assignments are proposed.

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