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

Table 10.

Some computational calculated parameters for a Type VI reaction (Schemes 1 and 2).

Solvent μ [D] (most polar species) Δμ[a] [D] Ea [kcal mol−1] ΔH[b] [kcal mol−1]
Benzene 15.0 (TS1) 15.2 (TS3) 5.5 29.5 (mechanism 1) 35.3 (mechanism 2) 5.6

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