Intramolecular hydrogen bonds and conformations of mercaptoethanol molecules

1. The IR spectra of a solution of mercaptoethanol in CCl4 and in gas-phase mercaptoethanol have νXH bands for free OH and SH groups and OH...S and SH...O groups in intramolecular hydrogen bonds. This indicates a conformational multiplicity of the ME molecules. 2. A molecular mechanics calculation indicates the possibility of conformational multiplicity for mercaptoethanol. The energy of the intramolecular OH...S hydrogen bond was evaluated.