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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 were… Expand
Peer Reviewed: Chiral Analysis Using Mid-IR Vibrational CD Spectroscopy
Absolute configuration and predominant conformations of 1,1-dimethyl-2-phenylethyl phenyl sulfoxide.
- Ana G. Petrovic, Jiangtao He, P. Polavarapu, L. Xiao, D. W. Armstrong
- Medicine, Chemistry
- Organic & biomolecular chemistry
- 12 May 2005
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 circular… Expand
A thermal and solvocontrollable cylindrical nanoshutter based on a single screw-sense helical polyguanidine.
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
Absolute configuration of C76 from optical rotatory dispersion.
- P. Polavarapu, Jiangtao He, J. Crassous, K. Ruud
- Chemistry, Medicine
- Chemphyschem : a European journal of chemical…
- 9 December 2005
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 experimental… Expand
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 serious… Expand
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
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 dichroism… Expand