Infrared Spectra of Acetonitrile and Acetonitrile-d_3

Publication

Reference: Pace E. L., Noe Lewis J. (1968). Infrared Spectra of Acetonitrile and Acetonitrile-d$_3. J. Chem. Phys., 49, 5317 - 5325.

Names

Title: Infrared Spectra of Acetonitrile and Acetonitrile-d$_3
Abstract: The infrared spectra of acetonitrile and acetonitrile-d$_3$ have been studied at - 50°C for the high-temperature (β) crystalline phase and at - 65°, - 115° and - 192°C for the low-temperature (α) crystalline phase. A powder x-ray pattern obtained at liquid-nitrogen temperature indicates that the unit cell is primitive orthorhombic and that it contains eight molecules. It is shown that the consideration of all available structural data together with the site group and factor group splittings for the \ensuremathα crystal tends to favor $D_{2h}^1 (Pmmm)$ and $D_{2h}^9 (Pbam)$ as possible space groups.
Keywords: spectroscopy, transmission spectra, data analysis, band position, band vibration mode, mid-IR, amorphous, crystalline, liquid, phase transition, molecular solid, nitrile, CH3CN, CD3CN, acetonitrile
Content: spectral data, band list data

Doi

10.1063/1.1670050

Identifiers