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Determining the Conformer Populations of (R)-(+)-3-Methylcyclopentanone Using Vibrational Absorption, Vibrational Circular Dichroism, and Specific Rotation
Experimental mid-infrared absorption and vibrational circular dichroism (VCD) spectra of (R)-(+)-3-methylcyclopentanone were measured in CCl4 solution. Theoretical absorption and VCD spectra wereExpand
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Absolute configuration and predominant conformations of 1,1-dimethyl-2-phenylethyl phenyl sulfoxide.
The absolute configuration of the (+)-1,1-dimethyl-2-phenylethyl phenyl sulfoxide is determined to be (R), using three different chiroptical spectroscopic methods, namely vibrational circularExpand
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Quantitative Determination of Conformer Populations: Assessment of Specific Rotation, Vibrational Absorption, and Vibrational Circular Dichroism in Substituted Butynes
To evaluate the quantitative agreement between the observed and predicted properties of specific rotation, vibrational absorption, and vibrational circular dichroism (VCD), (+)-3-chloro-1-butyne,Expand
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Absolute configuration of C76 from optical rotatory dispersion.
The absolute configuration of C76 has been determined as (+)589-(fC)-C76 , for the first time, by comparing the experimental and predicted optical rotatory dispersion (ORD) patterns. The experimentalExpand
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Determination of Intermolecular Hydrogen Bonded Conformers of α-Aryloxypropanoic Acids Using Density Functional Theory Predictions of Vibrational Absorption and Vibrational Circular Dichroism Spectra.
The density functional theoretical predictions of vibrational absorption (VA) and vibrational circular dichroism (VCD) spectra for monomeric chiral α-aryloxypropanoic acids are found to be in seriousExpand
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Absolute configurations of chiral herbicides determined from vibrational circular dichroism.
Enantiopure herbicides (+)-2-(4-chloro-2-methylphenoxy) propanoic acid, (+)-1 and (+)-2-(2,4-dichlorophenoxy) propanoic acid, (+)-2 were investigated using vibrational circular dichroism (VCD).Expand
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Determination of the absolute configuration of chiral alpha-aryloxypropanoic acids using vibrational circular dichroism studies: 2-(2-chlorophenoxy) propanoic acid and 2-(3-chlorophenoxy) propanoic
The enantiomers of 2-(2-chlorophenoxy) propanoic acid and 2-(3-chlorophenoxy) propanoic acid were resolved on a chiral HPLC column and investigated using mid-infrared vibrational circular dichroismExpand
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