Absolute Configuration Assignment of a Paraconic Acid Derivative via Vibrational Circular Dichroism Spectroscopy and Density Functional Theory Calculation

Chirality ◽  
2015 ◽  
Vol 28 (2) ◽  
pp. 110-115 ◽  
Author(s):  
Sara Meninno ◽  
Paola Rizzo ◽  
Sergio Abbate ◽  
Giovanna Longhi ◽  
Giuseppe Mazzeo ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Acid Derivative ◽  
Absolute Configuration ◽  
Density Functional ◽  
Density Functional Theory Calculation ◽  
Vibrational Circular Dichroism ◽  
Functional Theory ◽  
Configuration Assignment ◽  
Theory Calculation ◽  
Circular Dichroïsm

scholarly journals A pair of Schiff base enantiomers studied by absorption, fluorescence, electronic and vibrational circular dichroism spectroscopies and density functional theory calculation

RSC Advances ◽  
2015 ◽  
Vol 5 (46) ◽  
pp. 36813-36819 ◽  
Author(s):  
Hui-Hui Tang ◽  
Lu Zhang ◽  
Li-Li Zeng ◽  
Xue-Ming Fang ◽  
Li-Rong Lin ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Schiff Base ◽  
Circular Dichroism ◽  
Schiff Bases ◽  
Density Functional ◽  
Density Functional Theory Calculation ◽  
Vibrational Circular Dichroism ◽  
Functional Theory ◽  
Theory Calculation ◽  
Circular Dichroïsm

A pair of enantiomeric Schiff bases were synthesized and characterized, in particular their absolute configurations were determined by vibrational circular dichroism spectroscopy.

scholarly journals Vibrational Circular Dichroism Absolute Configuration of 9,12-Cyclomulin-13-ol, a Diterpene from Azorella and Laretia Species

2015 ◽  
Vol 10 (8) ◽  
pp. 1934578X1501000
Author(s):  
Marcelo A. Muñoz ◽  
Aurelio San-Martín ◽  
Pedro Joseph-Nathan
Keyword(s):  
Density Functional Theory ◽  
Circular Dichroism ◽  
Absolute Configuration ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Vibrational Circular Dichroism ◽  
X Ray Diffraction ◽  
Functional Theory ◽  
X Ray ◽  
Circular Dichroïsm

The absolute configuration of the diterpenoid 9,12-cyclomulin-13-ol (1), a constituent of Azorella and Laretia species, has been established by vibrational circular dichroism spectroscopy in combination with density functional theory calculations. The obtained normal diterpene absolute configuration confirms that of azorellanol (2), which was determined by single crystal X-ray diffraction.

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