Microwave spectrum of glycerol: Observation of a tunneling chiral isomer

Ilyushin, V. V.; Motiyenko, R. A.; Lovas, Francis J.; Plusquellic, David F.

doi:10.1016/j.jms.2008.02.005

Cited by 19 publications

(24 citation statements)

References 13 publications

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“…As a final note, the potential applications of the broadband FTMW method to thermalized gas samples in waveguides or static cells [28] would enable direct determinations of the relative energies of the conformers. Furthermore, with the high sensitivity of this method to the cooling dynamics that occur on the facile inter-conversion pathways of 1,2-propandiol and other sugar alcohols [29,30], a far-infrared variant of the population transfer method of Zwier and coworkers [31] may permit estimates of the torsional barriers. Such studies would provide full experimental determinations of the global torsional potential energy surface and rigorous tests of the ab initio theory.…”

Section: Table 12mentioning

confidence: 99%

Microwave spectrum of 1,2-propanediol

Lovas

Plusquellic

Pate

et al. 2009

Journal of Molecular Spectroscopy

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Section: Table 12mentioning

confidence: 99%

Microwave spectrum of 1,2-propanediol

Lovas

Plusquellic

Pate

et al. 2009

Journal of Molecular Spectroscopy

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“…It contributes to the hydrophilic building blocks in triglycerides commonly present in vegetable oils and animal fats (9). In addition, glycerol molecules are intracellularly yielded in algae in considerable quantity (10,11).…”

Section: Introductionmentioning

confidence: 99%

Recent Advances in Catalytic Conversion of Glycerol

Zhou¹,

Zhao²,

Tong³

et al. 2013

Catalysis Reviews

177

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The article underlines and discusses the state-of-the-art accomplishments in the catalytic conversion of glycerol (1,2,3-propanetriol) to fuels and value-added chemicals in the past five years (2008)(2009)(2010)(2011)(2012). The reactions include steam reforming, aqueous-phase reforming, hydrogenolysis, oxidation, dehydration, esterification, etherification, carboxylation, acetalization, and chlorination. Typical products are hydrogen, propanediols, dihydroxyacetone, glyceric acid, acrolein, glyceride, polyglycerol, glycerol carbonate, acetals, ketals, and epichlorohydrine. Recent studies on the catalysts, reaction conditions, and possible pathways are primarily discussed. They indicate that major breakthroughs are achieved by the use of multifunctional catalysts, process intensification and integrated reactions. Literature survey suggests that future work on the catalytic conversion of glycerol for commercial goals particularly requires new catalysts, innovative reactor engineering, and close multidisciplinary partnership.

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“…For this molecule, seven conformers were predicted in the 0−5 kJ/mol range, while five of them were observed. 56,57 In contrast, in mephenesin, only four structures are predicted (MP2) in the same range, suggesting that the presence of benzene ring limits the conformational possibilities.…”

Section: ■ Discussionmentioning

confidence: 97%

Conformational Flexibility of Mephenesin

et al. 2014

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The mephenesin molecule (3-(2-methylphenoxy)propane-1,2-diol) serves as a test bank to explore several structural and dynamical issues, such as conformational flexibility, the orientation of the carbon linear chain relative to the benzene plane, or the effect of substituent position on the rotational barrier of a methyl group. The molecule has been studied by rotational spectroscopy in the 4-18 GHz frequency range by Fourier-transform methods in a supersonic expansion. The experiment has been backed by a previous conformational search plus optimization of the lowest energy structures by ab initio and density functional quantum calculations. The three lowest-lying conformers that can interconvert to each other by simple bond rotations have been detected in the jet. Rotational parameters for all structures have been obtained, and methyl torsional barriers have been determined for the two lowest-lying rotamers. The lowest-lying structure of mephenesin is highly planar, with all carbon atoms lying nearly in the benzene ring plane, and is stabilized by the formation of cooperative intramolecular hydrogen bonding. An estimation of the relative abundance of the detected conformers indicates that the energetically most stable conformer will have an abundance near 80% at temperatures relevant for biological activity.

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Microwave spectrum of glycerol: Observation of a tunneling chiral isomer

Cited by 19 publications

References 13 publications

Microwave spectrum of 1,2-propanediol

Microwave spectrum of 1,2-propanediol

Recent Advances in Catalytic Conversion of Glycerol

Conformational Flexibility of Mephenesin

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