|Abstract:||Glycerol (CH2OHCHOHCH2OH) is a colorless, odorless, and viscous liquid with a sweet taste and is widely used in food and drug industry. This polyol compound with three hydroxyl groups is capable of taking on many different intra- and intermolecular hydrogen bonding topologies, leading to highly complex conformational spaces for its monomer and dimer. Rotational spectra of five of its monomeric conformers had been reported before., In the current study, we apply CREST, a conformer-rotamer ensemble sampling tool developed by the Grimme group, together with DFT calculations to systematically explore the conformational spaces of its monomer and dimer. Rotational spectra of glycerol in the 1-12 GHz range were recorded using a chirped-pulse Fourier transform microwave spectrometer and analyzed. Rotational transitions of several conformers of the binary glycerol complex were assigned. The structure-energy relationships of the conformers of the glycerol dimer and the corresponding monomer will be discussed.
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