Vibrational Circular Dichroism: A Valuable Tool for Conformational Analysis and Absolute Configuration Assignment of Chiral 1-Aryl-2,2,2-Trifluoroethanols

ChemPhysChem ◽  
2011 ◽  
Vol 12 (18) ◽  
pp. 3519-3523 ◽  
Author(s):  
Sergio Abbate ◽  
France Lebon ◽  
Susan Lepri ◽  
Giovanna Longhi ◽  
Roberto Gangemi ◽  
...  
Keyword(s):  
Circular Dichroism ◽  
Conformational Analysis ◽  
Absolute Configuration ◽  
Vibrational Circular Dichroism ◽  
Configuration Assignment ◽  
Circular Dichroïsm

scholarly journals Absolute Configuration Assignment of 3′,4′-di-O-acylkhellactones Using Vibrational Circular Dichroism Exciton Chirality

2015 ◽  
Vol 10 (6) ◽  
pp. 1934578X1501000 ◽  
Author(s):  
Abigail I. Buendía-Trujillo ◽  
J. Martín Torrres-Valencia ◽  
Pedro Joseph-Nathan ◽  
Eleuterio Burgueño-Tapia
Keyword(s):  
Circular Dichroism ◽  
Diffraction Analysis ◽  
Absolute Configuration ◽  
Optical Rotation ◽  
Vibrational Circular Dichroism ◽  
X Ray Diffraction ◽  
X Ray ◽  
Aerial Parts ◽  
Configuration Assignment ◽  
Circular Dichroïsm

The 3′R,4 ‘R absolute configuration (AC) of the angular-type pyranocoumarins (-)-3′,4′-di- O-acetylkhellactone (2), (-)-4′- O-acetyl-3′- O-angeloylkhellactone (3), (+)-3′- O-acetyl-4- O-isobutyroylkhellactone (4), and (-)-3′- O-angeloyl-4′- O-senecioylkhellactone (5), isolated from the aerial parts of Prionosciadum thapsoides, was assigned by vibrational circular dichroism exciton chirality (VCDEC), and confirmed by comparison of their VCD frequencies with those calculated using DFT at the B3LYP/DGDZVP level. This again reveals that AC assignments based on optical rotation data are not very confident. Evaluation of Flack and Hooft parameters obtained after single-crystal X-ray diffraction analysis of 3, independently confirmed this AC.

Absolute configuration assignment of oxindole derivatives by vibrational circular dichroism exciton coupling

2016 ◽  
Vol 27 (14-15) ◽  
pp. 623-638 ◽  
Author(s):  
Claudia I. Bautista-Hernández ◽  
Reyna E. Cordero-Rivera ◽  
Erick A. Zúñiga-Estrada ◽  
Nayely Trejo-Carbajal ◽  
Myriam Meléndez-Rodríguez ◽  
...  
Keyword(s):  
Circular Dichroism ◽  
Absolute Configuration ◽  
Vibrational Circular Dichroism ◽  
Exciton Coupling ◽  
Configuration Assignment ◽  
Circular Dichroïsm

Formal synthesis of (−)-flustramine B and its absolute configuration assignment by vibrational circular dichroism exciton chirality

2015 ◽  
Vol 26 (14) ◽  
pp. 710-720 ◽  
Author(s):  
Reyna E. Cordero-Rivera ◽  
Myriam Meléndez-Rodríguez ◽  
Oscar R. Suárez-Castillo ◽  
Claudia I. Bautista-Hernández ◽  
Nayely Trejo-Carbajal ◽  
...  
Keyword(s):  
Circular Dichroism ◽  
Absolute Configuration ◽  
Vibrational Circular Dichroism ◽  
Formal Synthesis ◽  
Configuration Assignment ◽  
Circular Dichroïsm

Absolute configuration assignment of (+)-fluralaner using vibrational circular dichroism

Chirality ◽  
2017 ◽  
Vol 29 (12) ◽  
pp. 854-864 ◽  
Author(s):  
John Kong ◽  
Leo A. Joyce ◽  
Jinchu Liu ◽  
Tiffany M. Jarrell ◽  
J. Chris Culberson ◽  
...  
Keyword(s):  
Circular Dichroism ◽  
Absolute Configuration ◽  
Vibrational Circular Dichroism ◽  
Configuration Assignment ◽  
Circular Dichroïsm
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