Electronic Effects versus Distortion Energies During Strain??Promoted Alkyne??Azide Cycloadditions: A Theoretical Tool to Predict Reaction Kinetics
J Garcia??Hartjes, J Dommerholt…
文献索引：Garcia-Hartjes, Jaime; Dommerholt, Jan; Wennekes, Tom; Van Delft, Floris L.; Zuilhof, Han European Journal of Organic Chemistry, 2013 , # 18 p. 3712 - 3720
Abstract Second-order reaction kinetics of known strain-promoted azide–alkyne cycloaddition (SPAAC) reactions were compared with theoretical data from a range of ab initio methods. This produced both detailed insights into the factors determining the reaction rates and two straightforward theoretical tools that can be used to predict a priori the reaction kinetics of novel cyclooctynes for strain-promoted cycloaddition reactions. Multiple ...
