Effect of pressure on molecular conformations. I. Internal rotation angle in trithiane

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Abstract
The effect of hydrostatic pressure on the Raman spectrum of polycrystalline trithiane up to 17.8 kbar has been measured to test a suggestion based on the infrared spectrum that the molecule goes from the puckered to the flat conformation at pressures of a few tens of kilobars. The disappearance of four infrared bands is consistent with flattening, but only after three of them have been reassigned, and the lack of disappearance in the C–H stretching region is also consistent after some reassignment. At 17.8 kbar the A1, ν2 internal rotation, or ring flattening, vibration decreased in intensity relative to its neighbors to about one quarter of its value at zero pressure, which suggests that the molecule is about halfway towards being flat. A first approximation to a theory suggests that the flattening is plausible.

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