Interesting ChemistryChiropticalEnergy DifferencesFree Energy DifferenceHybridizationChemical Sciences
Published in Henry Rzepa's Blog
Author Henry Rzepa
Stereo-induction is, lets face it, a subtle phenomenon. The ratio of two stereoisomers formed in a reaction can be detected very accurately by experiment, and when converted to a free energy difference using ΔG = -RT Ln K, this can amount to quite a small value (between 0.5 – 1.5 kcal/mol). Can modelling reproduce effects originating from such small energy differences?