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Spectroscopic analysis reveals trans and gauche isomer equilibrium of 2-thiabutane in fluid phases alongside pure trans crystallization, indicating near-identical conformational energies.
Raman spectra of 2-thiabutane have been measured in the liquid and crystalline states. Infrared spectra of these substances have been recorded in the vapor, liquid, and crystalline states. The skeletal frequencies for different rotational isomers have been calculated by the use of a potential function of the Urey-Bradley type. It was concluded that in the gaseous and liquid states there exist both the trans and gauche isomers, of which only the former persists in the crystalline state. These two rotational isomers have been found to have nearly the same energy in the gaseous and liquid states.
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Hayashi et al. (1957) studied this question.
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