ECD Spectra Computed with Vibrational Fine Structure

5 ECD Spectra Computed with Vibrational Fine Structure 

5 Assignments of Absolute Configuration by Comparing TDDFT Computations of ECD and OR/ORD to Experiment 

Chiral molecules with formally achiral chromophore 

The first group contains molecules with only an asymmetric carbon as the stereocenter (1-3). Molecules of this type tend to have small optical rotations (i.e., less than 100 deg mL g 1 dm ). The second group contains molecules which 

Polavarapu [176] has recently reviewed protocols that have been used for AC assignments based on computed optical rotations. The protocols were classified by four categories  

---