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. Author manuscript; available in PMC: 2016 Feb 23.
Published in final edited form as: Chem Sci. 2015 Nov 11;7(2):1257–1261. doi: 10.1039/C5SC03259H

Fig. 2.

Fig. 2

(a) DFT-computed activation free energies for the (3+2) cycloadditions of sydnone 1 with eight strained alkenes and alkynes at the CPCM(water)-M06-2X/6-311+G(d,p)//M06-2X/6-31G(d) level of theory and the predicted rate constants in water at 25 °C. (b) DFT-computed activation free energies and predicted rate constants for the (4+2) cycloadditions of tetrazine 9 with norbornene, DIBAC, and BARAC.