Quantitative Determination of Conformer Populations:  Assessment of Specific Rotation, Vibrational Absorption, and Vibrational Circular Dichroism in Substituted Butynes

Jiangtao He; Ana Petrovich; Prasad L. Polavarapu

doi:10.1021/jp030889g

Quantitative Determination of Conformer Populations: Assessment of Specific Rotation, Vibrational Absorption, and Vibrational Circular Dichroism in Substituted Butynes

The Journal of Physical Chemistry A ◽

10.1021/jp030889g ◽

2004 ◽

Vol 108 (10) ◽

pp. 1671-1680 ◽

Cited By ~ 29

Author(s):

Jiangtao He ◽

Ana Petrovich ◽

Prasad L. Polavarapu

Keyword(s):

Circular Dichroism ◽

Quantitative Determination ◽

Specific Rotation ◽

Vibrational Circular Dichroism ◽

Vibrational Absorption ◽

Circular Dichroïsm

Determining the Conformer Populations of (R)-(+)-3-Methylcyclopentanone Using Vibrational Absorption, Vibrational Circular Dichroism, and Specific Rotation

The Journal of Physical Chemistry B ◽

10.1021/jp048117n ◽

2004 ◽

Vol 108 (52) ◽

pp. 20451-20457 ◽

Cited By ~ 29

Author(s):

Jiangtao He ◽

Ana G. Petrovic ◽

Prasad L. Polavarapu

Keyword(s):

Circular Dichroism ◽

Specific Rotation ◽

Vibrational Circular Dichroism ◽

Vibrational Absorption ◽

Circular Dichroïsm

Determination of Intermolecular Hydrogen Bonded Conformers of α-Aryloxypropanoic Acids Using Density Functional Theory Predictions of Vibrational Absorption and Vibrational Circular Dichroism Spectra

Journal of Chemical Theory and Computation ◽

10.1021/ct049905j ◽

2005 ◽

Vol 1 (3) ◽

pp. 506-514 ◽

Cited By ~ 27

Author(s):

Jiangtao He ◽

Prasad L. Polavarapu

Keyword(s):

Density Functional Theory ◽

Circular Dichroism ◽

Density Functional ◽

Vibrational Circular Dichroism ◽

Circular Dichroism Spectra ◽

Functional Theory ◽

Vibrational Absorption ◽

Circular Dichroïsm ◽

Hydrogen Bonded

Determination of the Absolute Configurations of Natural Products via Density Functional Theory Calculations of Vibrational Circular Dichroism, Electronic Circular Dichroism, and Optical Rotation: The Iridoids Plumericin and Isoplumericin

The Journal of Organic Chemistry ◽

10.1021/jo070155q ◽

2007 ◽

Vol 72 (9) ◽

pp. 3521-3536 ◽

Cited By ~ 75

Author(s):

P. J. Stephens ◽

J. J. Pan ◽

F. J. Devlin ◽

K. Krohn ◽

T. Kurtán

Keyword(s):

Density Functional Theory ◽

Natural Products ◽

Circular Dichroism ◽

Density Functional ◽

Optical Rotation ◽

Density Functional Theory Calculations ◽

Vibrational Circular Dichroism ◽

Functional Theory ◽

Circular Dichroïsm

Determination of absolute configuration using vibrational circular dichroism spectroscopy: phenyl glycidic acid derivatives obtained via asymmetric epoxidation using oxone and a keto bile acid

Tetrahedron Asymmetry ◽

10.1016/j.tetasy.2005.06.035 ◽

2005 ◽

Vol 16 (15) ◽

pp. 2653-2663 ◽

Cited By ~ 25

Author(s):

Frank J. Devlin ◽

Philip J. Stephens ◽

Olga Bortolini

Keyword(s):

Circular Dichroism ◽

Bile Acid ◽

Absolute Configuration ◽

Circular Dichroism Spectroscopy ◽

Vibrational Circular Dichroism ◽

Asymmetric Epoxidation ◽

Determination Of Absolute Configuration ◽

Circular Dichroïsm

Towards the Determination of the Absolute Configuration of Complex Molecular Systems: Matrix Isolation Vibrational Circular Dichroism Study of (R)-2-Amino-1-propanol

Angewandte Chemie ◽

10.1002/ange.200503319 ◽

2006 ◽

Vol 118 (11) ◽

pp. 1807-1809 ◽

Cited By ~ 14

Author(s):

György Tarczay ◽

Gábor Magyarfalvi ◽

Elemér Vass

Keyword(s):

Circular Dichroism ◽

Absolute Configuration ◽

Matrix Isolation ◽

Vibrational Circular Dichroism ◽

Molecular Systems ◽

The Absolute ◽

Circular Dichroïsm

The Experimental Measurement of Vibrational Absorption and Vibrational Circular Dichroism Spectra

VCD Spectroscopy for Organic Chemists ◽

10.1201/b12278-4 ◽

2012 ◽

pp. 23-58

Keyword(s):

Circular Dichroism ◽

Experimental Measurement ◽

Vibrational Circular Dichroism ◽

Circular Dichroism Spectra ◽

Vibrational Absorption ◽

Circular Dichroïsm

Determination of Enantiomeric Excess in Samples of Chiral Molecules Using Fourier Transform Vibrational Circular Dichroism Spectroscopy: Simulation of Real-Time Reaction Monitoring

Analytical Chemistry ◽

10.1021/ac049366a ◽

2004 ◽

Vol 76 (23) ◽

pp. 6956-6966 ◽

Cited By ~ 47

Author(s):

Changning Guo ◽

Rekha D. Shah ◽

Rina K. Dukor ◽

Xiaolin Cao ◽

Teresa B. Freedman ◽

...

Keyword(s):

Fourier Transform ◽

Circular Dichroism ◽

Real Time ◽

Enantiomeric Excess ◽

Circular Dichroism Spectroscopy ◽

Vibrational Circular Dichroism ◽

Reaction Monitoring ◽

Chiral Molecules ◽

Circular Dichroïsm

Determination of absolute configuration using vibrational circular dichroism spectroscopy: The chiral sulfoxide 1-thiochromanone S-oxide

Chirality ◽

10.1002/chir.10103 ◽

2002 ◽

Vol 14 (5) ◽

pp. 400-406 ◽

Cited By ~ 29

Author(s):

F.J. Devlin ◽

P.J. Stephens ◽

P. Scafato ◽

S. Superchi ◽

C. Rosini

Keyword(s):

Circular Dichroism ◽

Absolute Configuration ◽

Circular Dichroism Spectroscopy ◽

Vibrational Circular Dichroism ◽

Determination Of Absolute Configuration ◽

Circular Dichroïsm

Determination of the absolute configurations of natural products via density functional theory calculations of vibrational circular dichroism, electronic circular dichroism, and optical rotation: The iso-schizozygane alkaloids isoschizogaline and isoschizogamine

Chirality ◽

10.1002/chir.20466 ◽

2008 ◽

Vol 20 (3-4) ◽

pp. 454-470 ◽

Cited By ~ 52

Author(s):

Philip J. Stephens ◽

Jian-Jung Pan ◽

Frank J. Devlin ◽

Marie Urbanová ◽

Ondřej Julínek ◽

...

Keyword(s):

Density Functional Theory ◽

Natural Products ◽

Circular Dichroism ◽

Density Functional ◽

Optical Rotation ◽

Density Functional Theory Calculations ◽

Vibrational Circular Dichroism ◽

Functional Theory ◽

Circular Dichroïsm

Determination of Absolute Stereochemistry of Flexible Molecules Using a Vibrational Circular Dichroism Spectra Alignment Algorithm

Journal of Chemical Information and Modeling ◽

10.1021/acs.jcim.8b00789 ◽

2019 ◽

Vol 59 (5) ◽

pp. 1826-1838 ◽

Cited By ~ 2

Author(s):

Lennard Böselt ◽

Dominik Sidler ◽

Tobias Kittelmann ◽

Jürgen Stohner ◽

Daniel Zindel ◽

...

Keyword(s):

Circular Dichroism ◽

Vibrational Circular Dichroism ◽

Alignment Algorithm ◽

Circular Dichroism Spectra ◽

Flexible Molecules ◽

Circular Dichroïsm ◽

Absolute Stereochemistry