ChemInform Abstract: Assignment of the Absolute Configuration of Hydroxy and Amino Carboxylic Acids by Circular Dichroism of Their Transition Metal Complexes

ChemInform ◽  
2010 ◽  
Vol 30 (17) ◽  
pp. no-no
Author(s):  
J. Frelek
Keyword(s):  
Circular Dichroism ◽  
Transition Metal ◽  
Metal Complexes ◽  
Carboxylic Acids ◽  
Transition Metal Complexes ◽  
Absolute Configuration ◽  
The Absolute ◽  
Circular Dichroïsm

Absolute configuration of in situ transition metal complexes of ligating natural products from circular dichroism

1985 ◽  
Vol 57 (3) ◽  
pp. 441-451 ◽  
Author(s):  
Jadwiga Frelek ◽  
Zsuzsa Majer ◽  
A. Perkowska ◽  
G. Snatzke ◽  
I. Vlahov ◽  
...  
Keyword(s):  
Natural Products ◽  
Circular Dichroism ◽  
Transition Metal ◽  
Metal Complexes ◽  
Transition Metal Complexes ◽  
Absolute Configuration ◽  
Circular Dichroïsm

Magnetic circular dichroism spectra of transition metal complexes calculated from restricted active space wavefunctions

2019 ◽  
Vol 21 (10) ◽  
pp. 5586-5597 ◽  
Author(s):  
Yonaton N. Heit ◽  
Dumitru-Claudiu Sergentu ◽  
Jochen Autschbach
Keyword(s):  
Circular Dichroism ◽  
Transition Metal ◽  
Metal Complexes ◽  
Transition Metal Complexes ◽  
Magnetic Circular Dichroism ◽  
Open Shell ◽  
Active Space ◽  
Self Consistent Field ◽  
Circular Dichroïsm ◽  
Magnetic Circular Dichroism Spectra

Multiconfigurational restricted active space (RAS) self-consistent field (SCF) or configuration interaction (CI) approaches, augmented with a treatment of spin–orbit coupling by state interaction, were used to calculate the magnetic circular dichroism , , and/or for closed- and open-shell transition metal complexes.

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