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. 2015 Feb 1;4(3):308–317. doi: 10.1002/open.201402123

Table 2.

Computational calculated parameters for a Type I 1,3-dipolar reaction (Scheme 1).

Solvent μ [D] (most polar species) Δμ[a] [D] Ea [kcal mol−1] ΔH[b] [kcal mol−1]
Solvent-free 4.7 (Reactant 2 a) 7.0 (Reactant 2 b) −1.1 to 3.5 13.6 to 30.6 −16.5 to −22

[a] Δμ=μ TS−μ reactants; [b] ΔH=ΔHproducts−ΔHreactants.