Determination of Complex Geometry by CD

The CD or ICD observed for type B cydodextrins is often used to gather information about the relative orientation of the appended chromophore and CyD moiety in the uncomplexed and complexed state. Application of the rules mentioned above [11-13] can give only very limited information, in our opinion. In these cases the calculation of possible conformations should be quite straightforward and would significantly reduce possible arrangements that must be considered. This would fadlitate the drawing of correct conclusions from the experimental CD. 

ClAEDELLI, P. SaLVADORI, Fundamental Aspects and Recent Developments in Optical Rotatory 

Principles and Applications with Emphasis on Optical Activity, Elsevier, New York, 1998. 

4 (a) N. Berova, K. Nakanishi, R. W. Woody, Circular Dichroism. Principles and Applications, 2nd edition, Wiley-VCH, New York, 2000 (b) D. A. Lightnee, j. E. Guest, Organic Conformational Analysis and Stereochemistry from Circular Dichroism Spectroscopy, WUey-VCH, New York, 2000. 

Kajtae, C. Hoevath-Toeo, E. Kuthi, j. Szejtli, Acta Chim. Acad. 

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